data_2n5g_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n5g _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.636 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 3.8 mtp-105 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.96 0.409 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 5.9 tp -136.49 123.76 21.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.585 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 160.68 32.42 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -46.72 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.882 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -73.66 -27.66 61.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.586 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.516 ' CE2' ' HD2' ' A' ' 28' ' ' ARG . 24.1 t80 -65.63 -46.35 79.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.416 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 123.508 0.505 . . . . 0.0 111.547 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -39.83 94.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.803 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -49.74 16.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.16 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.536 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 14.7 pt -74.1 -10.55 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.05 -27.24 63.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.664 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 20.8 42.41 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.825 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -108.6 119.64 40.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.42 82.8 3.72 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.89 155.45 10.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.212 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.95 156.05 50.02 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.624 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -64.29 -18.09 64.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.425 -0.387 . . . . 0.0 112.038 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -62.73 -47.52 83.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.287 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.48 HG23 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -69.91 -33.68 72.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.282 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.19 -39.4 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.2 -25.68 65.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.667 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 31.5 mm -62.5 -50.71 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.48 -19.84 62.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.686 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.59 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -66.63 -28.94 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.407 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.36 -25.9 5.62 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.127 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.605 HG13 HG23 ' A' ' 55' ' ' VAL . 1.3 t -80.58 -45.62 21.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 31' ' ' LEU . 30.9 mt -94.11 -45.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -176.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 84.2 t -64.74 -41.5 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.302 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.45 -14.3 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.1 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.636 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.76 48.77 59.57 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.763 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -108.09 153.21 41.91 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.589 -0.305 . . . . 0.0 111.423 -172.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.74 131.91 46.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.421 2.747 . . . . 0.0 112.864 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.513 ' HG2' HG22 ' A' ' 55' ' ' VAL . 7.4 mp0 -80.94 -27.35 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.421 -173.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.36 85.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.558 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -39.28 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.146 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -33.89 75.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.619 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -59.3 -46.37 88.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.189 177.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -71.35 -27.12 63.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.803 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 m -77.26 -32.82 55.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.669 0.271 . . . . 0.0 111.578 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -99.55 -11.93 20.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 16.25 68.57 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.972 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -88.69 160.22 17.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 120.959 0.409 . . . . 0.0 110.722 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.38 157.27 34.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.318 171.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -63.06 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -26.14 72.73 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.982 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.27 -40.66 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.995 0.397 . . . . 0.0 110.842 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 41' ' ' ALA . 54.2 t -65.48 -49.61 77.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.485 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.409 ' HA ' HG21 ' A' ' 55' ' ' VAL . 4.6 m -64.42 -24.73 67.73 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.699 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.519 HE21 ' HB3' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -68.04 -38.43 82.51 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 175.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.48 ' HB2' HG23 ' A' ' 23' ' ' THR . . . -72.37 -35.77 68.56 Favored 'General case' 0 CA--C 1.519 -0.215 0 O-C-N 123.159 0.287 . . . . 0.0 110.766 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG23 HG13 ' A' ' 30' ' ' VAL . 35.8 t -59.83 -53.88 42.32 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.644 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.3 t-80 -67.17 -33.48 75.5 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.501 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -57.26 -51.03 71.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.136 0.425 . . . . 0.0 111.359 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.513 ' HA ' HD21 ' A' ' 17' ' ' LEU . 94.2 t -73.76 -39.38 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.511 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -66.47 -33.0 74.72 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.809 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . . . -69.14 -30.94 69.3 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.452 0.301 . . . . 0.0 111.785 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.67 82.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 109.873 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.87 -37.13 70.23 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 60' ' ' ALA . 60.3 mt-10 -61.22 -46.79 88.98 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.636 0.774 . . . . 0.0 111.207 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.99 -33.51 73.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.414 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.856 -179.437 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.8 119.62 34.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.011 0.434 . . . . 0.0 110.432 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.749 HG23 ' HB2' ' B' ' 78' ' ' LEU . 28.9 m -93.07 143.72 10.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 120.5 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.164 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -133.71 149.01 51.5 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.154 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.622 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 61.2 t -78.8 115.69 21.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.456 ' HB2' HG22 ' B' ' 74' ' ' VAL . 14.2 mt -157.84 142.72 12.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.43 166.35 23.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.525 2.15 . . . . 0.0 112.847 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -23.69 64.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.301 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.09 -38.79 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -72.88 -31.28 64.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.764 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -62.54 -23.06 66.77 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.134 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.55 -45.7 66.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.222 0.534 . . . . 0.0 110.507 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -32.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 73.9 t -62.96 -31.62 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -39.76 89.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.13 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -76.02 -29.42 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -72.21 -33.8 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.4 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.825 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 19.1 tt0 -64.86 -43.48 92.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.392 176.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.44 67.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.959 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -42.07 63.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.26 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.442 ' HB2' ' HD3' ' B' ' 79' ' ' PRO . . . -68.24 -33.65 74.78 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 174.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.851 179.053 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.476 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -151.86 176.1 11.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.102 -175.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.224 -173.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.595 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.3 tt0 -64.85 -24.36 67.52 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.209 0.318 . . . . 0.0 111.614 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -46.54 89.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -78.87 -25.88 43.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.727 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.595 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 69.1 t80 -65.16 -38.56 90.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.339 175.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -36.3 83.48 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.847 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.56 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.18 -49.16 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.907 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.0 pt -74.78 -9.83 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -175.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.67 -6.84 57.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.455 0.645 . . . . 0.0 111.168 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.3 39.34 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.76 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.2 OUTLIER -130.53 126.28 36.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 111.35 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.517 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -100.99 83.89 2.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.194 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 m -129.37 166.14 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.76 -175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 154.59 50.55 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.133 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -60.11 -26.75 66.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.581 . . . . 0.0 111.962 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.32 -48.22 82.69 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.071 0.232 . . . . 0.0 110.908 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -41.01 96.12 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.643 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.438 HG21 ' HZ ' ' B' ' 10' ' ' PHE . 31.8 mt -69.83 -43.61 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.43 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.04 -29.27 66.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.428 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 27.8 mm -65.55 -49.08 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.539 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -63.51 -29.54 70.8 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.809 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.651 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 4.3 ttt180 -61.15 -28.76 69.35 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.089 0.556 . . . . 0.0 112.134 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.83 -29.33 4.69 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.015 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.674 HG23 ' HG3' ' B' ' 37' ' ' GLN . 0.9 OUTLIER -74.92 -49.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 122.424 0.289 . . . . 0.0 111.638 -173.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.605 HD13 HG12 ' B' ' 58' ' ' VAL . 1.0 OUTLIER -115.54 1.94 13.71 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.651 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.7 t -97.46 -52.26 9.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 O-C-N 121.829 -0.544 . . . . 0.0 109.843 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -83.61 -37.3 23.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.925 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 94.16 49.68 2.39 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.29 -177.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -99.54 144.8 28.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.702 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.3 135.49 70.52 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.103 2.535 . . . . 0.0 112.742 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.674 ' HG3' HG23 ' B' ' 30' ' ' VAL . 1.7 mp0 -76.64 -30.39 56.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.256 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.75 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -27.1 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.341 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -35.7 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.84 82.33 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.975 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -35.33 63.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.743 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -68.27 -50.91 50.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.1 43.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.034 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.9 23.96 50.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.679 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -87.64 164.15 16.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.87 156.23 32.31 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -39.98 91.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.45 -28.92 72.96 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.94 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.16 57.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.861 0.33 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.98 -43.64 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 m -65.8 -29.8 70.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.581 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -69.46 -33.99 73.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.058 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.96 83.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.03 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.641 HG23 HG13 ' B' ' 30' ' ' VAL . 2.7 t -62.84 -49.35 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.923 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' B' ' 60' ' ' ALA . 1.4 t-80 -64.86 -44.04 91.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.295 -175.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -48.89 67.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.605 HG12 HD13 ' B' ' 31' ' ' LEU . 93.6 t -72.54 -43.59 62.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.296 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -65.21 -42.67 93.27 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.124 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' B' ' 56' ' ' HIS . . . -63.74 -28.91 70.2 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.79 90.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.061 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -68.84 -35.35 76.85 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.159 0.504 . . . . 0.0 110.183 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.82 -28.54 67.66 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.601 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.314 0.578 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -122.51 108.71 13.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 78' ' ' LEU . 35.7 m -84.96 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.75 0.786 . . . . 0.0 111.153 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.22 115.5 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.898 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.53 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . . . -139.59 166.0 25.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.64 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.825 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 46.8 t -78.23 112.35 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.749 ' HB2' HG23 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -149.37 145.27 18.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.643 ' HD2' HD12 ' B' ' 78' ' ' LEU . 45.9 Cg_endo -69.72 170.91 15.43 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.209 1.94 . . . . 0.0 112.804 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -20.08 64.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.54 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.116 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.125 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.602 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -65.2 -23.91 67.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.079 -177.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -55.09 -46.47 75.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.263 0.554 . . . . 0.0 110.415 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.81 -26.37 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.697 -177.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.602 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 3.5 t -62.94 -36.62 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -42.16 76.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -38.9 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.879 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.53 -27.34 66.02 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.221 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.622 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -56.63 -50.57 71.63 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 176.505 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.46 -22.62 43.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.733 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -36.89 59.2 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 175.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.651 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 91.9 mtt180 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 21.5 tp -119.22 155.75 31.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.782 -175.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.0 p -99.06 162.52 13.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.228 -0.295 . . . . 0.0 111.493 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -51.32 -47.81 62.56 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.245 0.545 . . . . 0.0 110.55 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -56.5 -54.52 44.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.733 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.87 -23.43 61.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.334 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.23 -45.62 87.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.111 0.481 . . . . 0.0 110.07 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.69 -38.79 92.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.219 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.55 -27.78 63.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.693 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.5 21.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.487 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 15' ' ' GLN . 28.9 pt -70.39 -45.8 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.416 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.401 ' N ' HG13 ' A' ' 14' ' ' ILE . 23.8 tt0 45.56 -90.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.991 0.916 . . . . 0.0 113.021 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.36 22.88 3.5 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.281 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.09 138.4 49.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.326 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.09 83.54 7.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.534 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.91 142.66 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.134 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.69 143.62 38.82 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.324 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -56.34 -23.38 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.068 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 26' ' ' ILE . 2.9 tp-100 -59.3 -51.22 70.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.879 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -28.72 63.37 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.135 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 21' ' ' GLN . 78.7 mt -64.0 -46.76 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.351 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.96 -25.76 65.6 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 22' ' ' GLN . 86.4 mt -66.36 -51.11 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.33 68.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.887 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.671 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 6.9 tmm_? -62.22 -29.28 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.003 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -107.19 -36.67 2.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.798 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 HG13 ' HG3' ' A' ' 37' ' ' GLN . 3.0 t -68.01 -44.45 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 122.935 0.494 . . . . 0.0 111.569 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.765 HD22 HG23 ' A' ' 55' ' ' VAL . 64.5 mt -97.35 -53.55 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.68 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.5 t -62.73 -48.17 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.705 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.585 ' OD1' ' HG3' ' A' ' 35' ' ' LYS . 15.4 t70 -82.95 -36.42 25.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.506 0.669 . . . . 0.0 109.831 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.651 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 88.21 35.35 8.9 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.582 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.585 ' HG3' ' OD1' ' A' ' 33' ' ' ASP . 52.5 mttp -92.16 148.99 37.84 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.835 0.35 . . . . 0.0 111.391 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.47 123.42 11.27 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 112.091 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.53 ' HB3' ' CG1' ' A' ' 51' ' ' VAL . 1.5 mp0 -61.05 -35.58 77.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.78 -172.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.83 68.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.646 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -68.85 -41.54 78.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 110.269 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 44' ' ' LEU . 92.3 m-85 -66.6 -37.24 84.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.954 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.17 -51.52 69.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.975 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -71.58 -46.08 60.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.817 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -73.69 -50.99 18.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 40' ' ' PHE . 8.2 mp -82.16 -15.29 53.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 111.089 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 42.44 6.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.075 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.7 mt -108.18 158.77 17.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -90.93 156.19 18.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 48' ' ' ARG . 2.7 ptm180 -61.3 -34.61 75.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.585 0.231 . . . . 0.0 110.945 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.68 -41.46 89.29 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.831 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.76 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 37' ' ' GLN . 84.5 t -60.64 -45.85 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.813 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.6 m -70.59 -28.09 64.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.627 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.12 -40.65 78.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.53 80.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.765 HG23 HD22 ' A' ' 31' ' ' LEU . 5.9 p -65.1 -38.54 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.503 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -66.94 -50.45 62.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -64.27 -50.73 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.3 -41.89 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.994 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.48 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 28.8 t-105 -67.85 -30.65 70.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.93 -35.77 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.61 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.209 0.528 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -65.69 -35.01 79.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.048 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.11 -47.24 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -35.49 80.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 178.844 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 34.9 ptt180 -86.05 110.94 19.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.628 0.728 . . . . 0.0 109.569 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.425 HG23 ' HB2' ' B' ' 78' ' ' LEU . 15.4 m -93.78 114.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.296 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -96.82 130.33 44.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.734 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.14 144.73 31.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.662 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.721 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 11.6 p -82.7 132.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' B' ' 93' ' ' ALA . 68.7 mt -156.68 136.98 8.86 Favored Pre-proline 0 C--N 1.316 -0.87 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.14 139.18 80.34 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.274 1.983 . . . . 0.0 111.6 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -44.64 -44.56 9.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.9 0.75 . . . . 0.0 112.284 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.91 -27.63 63.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.819 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.515 HE22 HD11 ' A' ' 85' ' ' ILE . 25.0 tp60 -73.12 -27.67 61.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 111.186 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 74' ' ' VAL . . . -61.75 -23.98 66.52 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.067 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -52.01 -47.6 64.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.419 0.628 . . . . 0.0 110.115 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.515 HD11 HE22 ' A' ' 82' ' ' GLN . 3.4 mt -84.49 -24.78 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.605 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.25 -38.66 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.636 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -63.12 -24.13 67.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.189 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -69.77 -48.37 59.55 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -63.36 -37.42 87.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -57.72 -46.15 84.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.872 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.67 -23.18 49.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.221 0.534 . . . . 0.0 111.068 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -73.88 -33.1 63.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.022 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' B' ' 78' ' ' LEU . . . -66.95 -38.94 87.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -76.78 -21.16 55.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.252 0.549 . . . . 0.0 110.091 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 24.4 ttpt . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.795 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.53 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 60.8 mtt180 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.625 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 19.6 tp -111.79 119.3 38.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -176.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -74.06 157.43 36.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.07 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -50.2 -42.2 50.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.759 0.314 . . . . 0.0 111.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -58.15 -55.07 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.123 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.84 -27.56 65.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.743 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' B' ' 24' ' ' ILE . 64.6 t80 -65.5 -50.08 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.329 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.88 -35.28 80.13 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.659 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -64.22 -37.89 89.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.975 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.36 56.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 31.2 pt -74.84 -38.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.741 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 39.9 -92.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.213 1.005 . . . . 0.0 113.189 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.93 28.61 2.93 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.27 159.42 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.81 0.338 . . . . 0.0 110.569 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.6 84.84 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.55 128.24 60.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.378 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 158.22 46.01 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.454 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.8 -19.2 65.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.427 ' O ' HG13 ' B' ' 26' ' ' ILE . 6.4 tp-100 -65.5 -50.52 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.84 HG21 ' HA ' ' B' ' 54' ' ' ALA . 14.1 m -57.8 -40.86 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.115 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' B' ' 21' ' ' GLN . 75.3 mt -66.62 -50.72 63.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.509 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.69 -33.66 74.33 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.614 HG22 ' HA ' ' B' ' 51' ' ' VAL . 85.0 mt -65.13 -48.18 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.24 -26.79 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.992 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.642 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 45.7 ttm-85 -73.03 -39.43 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.326 . . . . 0.0 110.922 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.76 -13.26 56.99 Favored Glycine 0 CA--C 1.51 -0.23 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.838 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.612 HG13 ' HG3' ' B' ' 37' ' ' GLN . 2.1 t -99.78 -48.97 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.268 -0.466 . . . . 0.0 110.736 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.614 HD22 HG23 ' B' ' 55' ' ' VAL . 95.3 mt -94.82 -52.84 4.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.57 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.642 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 48.1 t -62.9 -39.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.257 0.551 . . . . 0.0 111.347 -177.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -80.35 -21.24 42.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.659 0.742 . . . . 0.0 109.945 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.53 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 67.89 47.46 60.33 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.629 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.45 ' HZ3' ' HB2' ' B' ' 35' ' ' LYS . 3.4 ttmp? -119.06 138.77 26.54 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.343 -0.428 . . . . 0.0 111.007 -173.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.7 123.74 6.19 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.503 2.802 . . . . 0.0 112.003 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.612 ' HG3' HG13 ' B' ' 30' ' ' VAL . 1.8 mp0 -57.5 -38.52 74.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.373 -169.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.2 69.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.431 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.7 m -65.22 -41.14 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 19.4 t80 -70.46 -39.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 109.604 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.898 ' HB3' HG22 ' B' ' 51' ' ' VAL . . . -61.37 -47.62 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.802 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -65.86 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.493 ' HB3' HD12 ' B' ' 44' ' ' LEU . 7.8 t -71.04 -54.77 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.294 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' B' ' 43' ' ' SER . 6.9 mp -89.59 -1.34 57.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.85 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.35 38.32 39.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.32 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 80.1 mt -95.19 158.39 15.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.203 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.2 p -86.61 155.18 20.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -63.22 -31.78 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.681 0.277 . . . . 0.0 110.569 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.71 -36.48 82.76 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.069 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.51 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.269 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.898 HG22 ' HB3' ' B' ' 41' ' ' ALA . 78.3 t -62.79 -41.25 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.454 ' HA ' HG11 ' B' ' 55' ' ' VAL . 42.7 m -68.82 -33.11 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.21 -44.98 96.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.462 . . . . 0.0 110.24 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.84 ' HA ' HG21 ' B' ' 23' ' ' THR . . . -61.91 -49.21 77.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.504 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.614 HG23 HD22 ' B' ' 31' ' ' LEU . 7.1 p -68.93 -38.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.313 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -66.12 -51.49 57.42 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' B' ' 57' ' ' ARG . 9.1 mmt180 -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.12 -45.9 95.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.88 0.372 . . . . 0.0 110.519 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -66.03 -36.76 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.676 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.54 83.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.129 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.46 97.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.075 0.464 . . . . 0.0 109.892 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.09 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.197 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.91 -49.96 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.234 0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -177.246 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 34.5 ptt180 -79.37 104.66 10.14 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.79 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.501 HG13 ' HB1' ' A' ' 83' ' ' ALA . 21.8 m -91.08 124.44 43.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.6 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.3 p -87.91 122.72 31.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.138 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -129.26 173.59 10.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.502 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 93' ' ' ALA . 12.2 p -124.55 135.39 64.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 93' ' ' ALA . 44.0 mt -163.59 160.58 17.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.52 138.05 79.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.112 1.875 . . . . 0.0 111.817 175.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -56.38 -32.71 65.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.191 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -73.59 -21.44 60.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.009 0.433 . . . . 0.0 110.826 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.627 HE22 HD11 ' B' ' 85' ' ' ILE . 26.7 tp60 -72.2 -26.65 62.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.36 59.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.122 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . 0.46 ' HD2' HG12 ' B' ' 85' ' ' ILE . 36.9 t80 -53.83 -46.65 71.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.319 0.581 . . . . 0.0 110.446 176.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.627 HD11 HE22 ' B' ' 82' ' ' GLN . 3.7 mt -84.07 -27.86 7.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.942 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.75 -34.69 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.874 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -58.25 -34.7 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.488 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.02 -47.22 53.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.206 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.413 ' HD1' ' O ' ' B' ' 85' ' ' ILE . 36.7 m95 -62.12 -41.22 98.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.628 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.721 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 37.7 tt0 -59.42 -43.01 93.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.94 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.114 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -37.85 77.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.423 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . 0.486 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.231 0.538 . . . . 0.0 110.483 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tp -115.18 154.58 28.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 154.65 35.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.455 173.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.55 -25.81 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.705 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.89 60.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.107 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -75.14 -25.3 58.28 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.53 ' HE1' ' HB2' ' A' ' 27' ' ' ALA . 43.2 t80 -65.03 -47.1 78.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 175.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -42.35 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.956 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . . . -67.31 -42.75 83.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.702 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.484 HD12 HG21 ' A' ' 24' ' ' ILE . 2.5 pt -84.76 -8.02 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -33.13 71.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.194 0.521 . . . . 0.0 110.826 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.63 23.49 34.78 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.112 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -130.96 120.25 23.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.041 0.448 . . . . 0.0 110.923 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.09 84.22 6.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.472 0.653 . . . . 0.0 109.765 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.34 163.66 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.785 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 136.34 46.4 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 114.948 -1.023 . . . . 0.0 112.991 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -20.98 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.36 0.264 . . . . 0.0 111.277 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.29 -46.04 88.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.45 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.741 ' HA ' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -71.4 -30.35 66.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.484 HG21 HD12 ' A' ' 14' ' ' ILE . 88.5 mt -66.15 -40.35 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.291 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.01 -27.11 66.28 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.387 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.741 HD13 ' HA ' ' A' ' 23' ' ' THR . 39.7 mt -71.9 -49.79 42.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.269 177.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -64.85 -19.7 66.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.579 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.4 ttt85 -58.43 -29.09 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.16 -45.54 1.0 Allowed Glycine 0 C--O 1.224 -0.484 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.224 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 HG22 ' A' ' 55' ' ' VAL . 30.4 m -75.82 -21.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 117.343 0.572 . . . . 0.0 112.402 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 1.1 tt -108.29 -50.58 3.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.221 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.4 t -68.07 -48.67 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.066 0.46 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.84 -12.39 39.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.25 33.33 77.77 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.63 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -85.7 158.47 56.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.434 0.117 . . . . 0.0 111.153 -173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.19 151.18 86.13 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.009 2.473 . . . . 0.0 113.274 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HA ' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -81.3 -30.3 33.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.118 -176.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.77 84.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.071 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -39.96 80.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -33.75 76.5 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.71 79.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.117 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -28.38 64.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -73.48 -42.62 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -93.91 -22.64 18.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.7 36.17 4.89 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.071 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.09 172.19 7.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.799 0.333 . . . . 0.0 110.608 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 156.23 17.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -59.88 -37.94 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.048 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -29.34 72.61 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.413 0.446 . . . . 0.0 113.19 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.27 -36.12 63.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.101 0.477 . . . . 0.0 110.206 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' A' ' 37' ' ' GLN . 73.0 t -68.89 -42.16 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.015 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.572 ' HA ' HG23 ' A' ' 55' ' ' VAL . 8.0 p -72.39 -22.14 61.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 111.337 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -32.32 70.45 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.96 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.612 HG22 HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -63.89 -44.41 98.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.44 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.54 -45.59 86.48 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.743 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -60.29 -54.14 49.31 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.85 -36.94 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.121 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -63.52 -42.64 98.46 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.402 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -32.03 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.129 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.539 ' HB2' HD21 ' A' ' 17' ' ' LEU . . . -66.55 -41.94 87.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.065 0.459 . . . . 0.0 110.56 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -63.97 -43.47 95.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.673 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.42 -31.5 68.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.32 -38.24 78.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.435 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 tptt . . . . . 0 C--N 1.333 -0.134 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.915 178.333 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.19 118.14 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.492 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.581 HG21 ' HB2' ' B' ' 78' ' ' LEU . 35.2 m -86.35 133.84 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.992 0.425 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.42 114.91 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.358 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.55 150.98 40.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.82 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.447 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 40.7 t -79.38 118.12 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.701 ' HB2' HG23 ' B' ' 74' ' ' VAL . 3.3 mt -161.29 148.3 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.98 165.11 19.87 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.847 2.365 . . . . 0.0 113.108 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.41 -18.35 63.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.579 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.7 88.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 176.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -26.18 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.285 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.577 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -59.33 -22.84 61.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.89 -46.46 71.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.166 0.508 . . . . 0.0 110.625 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.99 -31.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.583 -178.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 54.9 t -62.86 -37.23 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.924 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 87' ' ' ARG . 2.1 ttt85 -62.61 -36.37 82.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -71.59 -39.93 70.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.746 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -73.26 -30.68 63.6 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -61.42 -42.21 98.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.384 175.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.68 -23.33 45.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.396 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -38.68 31.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.62 58.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.549 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -18.17 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.397 176.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.521 -0.157 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.166 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.628 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 4.0 mtp-105 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.087 0.47 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 9.0 tp -117.49 149.42 40.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.31 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 157.62 17.36 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.92 -31.87 72.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -51.35 62.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.45 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.456 ' HG2' ' HE1' ' B' ' 62' ' ' PHE . 7.9 mp0 -72.86 -26.95 61.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.634 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 72.9 t80 -65.93 -47.15 75.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 176.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -31.57 66.42 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.56 -30.7 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.259 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' B' ' 61' ' ' ALA . . . -69.62 -46.79 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.036 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.06 0.36 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.915 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.59 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.509 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.81 37.46 3.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.33 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -132.24 133.14 43.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.628 0.251 . . . . 0.0 110.77 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.13 84.35 6.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.583 0.706 . . . . 0.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.48 142.48 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.695 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 159.56 52.87 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.57 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -66.09 -21.45 66.36 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.084 -0.558 . . . . 0.0 111.869 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.529 HE21 HD13 ' B' ' 26' ' ' ILE . 0.9 OUTLIER -64.66 -44.11 91.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.591 0.234 . . . . 0.0 110.612 176.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.21 -31.76 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.097 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.529 HD13 HE21 ' B' ' 22' ' ' GLN . 56.0 mt -71.94 -50.92 34.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.634 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.96 -23.86 66.68 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.679 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.516 ' HA ' HG21 ' B' ' 32' ' ' VAL . 6.3 ttt180 -60.6 -35.25 75.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.007 175.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.97 1.84 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.771 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.838 HG22 HG21 ' B' ' 55' ' ' VAL . 35.1 m -69.84 -34.11 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' B' ' 31' ' ' LEU . 20.4 mt -96.39 -59.28 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.246 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' B' ' 28' ' ' ARG . 6.4 t -66.18 -52.19 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.688 -175.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.559 ' HB3' ' HD2' ' B' ' 35' ' ' LYS . 1.1 t0 -82.61 -17.26 45.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.268 0.556 . . . . 0.0 110.346 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.628 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 74.78 44.61 24.69 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.775 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.559 ' HD2' ' HB3' ' B' ' 33' ' ' ASP . 2.0 mttt -92.61 146.27 32.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.75 149.55 89.51 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.703 2.269 . . . . 0.0 112.827 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -39.84 24.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.473 -170.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.94 90.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.849 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -36.03 78.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.239 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -40.94 98.51 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.91 -55.34 34.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.492 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -68.76 -32.22 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -73.17 -37.23 66.6 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -19.98 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.661 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.52 31.13 8.06 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.048 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.54 168.67 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 110.262 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.01 156.84 19.1 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.847 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.77 84.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.38 -32.12 71.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.992 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.6 64.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.993 0.396 . . . . 0.0 110.79 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.458 ' HA ' HD12 ' B' ' 26' ' ' ILE . 38.7 t -63.43 -47.85 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.033 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -68.24 -26.25 65.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -35.35 75.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.545 0.212 . . . . 0.0 110.684 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.21 81.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.838 HG21 HG22 ' B' ' 30' ' ' VAL . 27.9 t -59.71 -51.07 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.757 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -42.17 92.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.255 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' B' ' 57' ' ' ARG . 16.4 tpp180 -64.09 -50.12 69.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.6 t -71.32 -40.7 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.763 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.405 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 25.4 t-105 -65.73 -35.4 80.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.5 84.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.972 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' B' ' 13' ' ' ALA . . . -70.93 -34.09 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.474 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.456 ' HE1' ' HG2' ' B' ' 9' ' ' GLN . 30.0 t80 -62.91 -42.93 99.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.71 -40.55 72.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.553 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.817 0.342 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -127.74 115.58 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.086 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' A' ' 78' ' ' LEU . 27.4 m -85.93 143.84 10.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.98 124.97 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.239 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.493 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -134.5 155.6 50.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.824 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 90' ' ' GLU . 21.8 t -77.91 123.21 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 173.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.581 ' HB2' HG21 ' A' ' 74' ' ' VAL . 17.9 mt -158.96 152.33 18.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.26 170.84 15.06 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.26 1.973 . . . . 0.0 112.724 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -69.33 -19.79 63.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.314 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -47.27 80.13 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.245 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' B' ' 85' ' ' ILE . 37.0 mm-40 -73.3 -31.3 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.111 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.594 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -64.08 -25.37 68.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.006 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -55.53 -48.76 74.17 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.168 0.508 . . . . 0.0 110.565 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 82' ' ' GLN . 0.1 OUTLIER -80.84 -25.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.806 -178.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.594 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 2.8 t -62.28 -39.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.807 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -68.83 -29.44 67.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.834 0.35 . . . . 0.0 111.028 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -42.51 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.241 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -70.22 -32.97 71.08 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.415 ' HG2' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -57.31 -44.83 84.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.084 178.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.02 -32.9 45.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.438 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -33.85 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 178.51 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 121.116 0.484 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 12.9 tp -101.82 148.0 25.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.538 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.14 157.53 30.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.554 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -63.01 -39.12 93.81 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.776 -175.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -36.96 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -78.29 -28.89 47.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.642 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 90.4 t80 -63.13 -40.6 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.23 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.62 88.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.273 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.67 -32.86 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.101 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.96 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.939 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.0 -17.51 8.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.32 113.37 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.64 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.6 1.34 62.11 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.245 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.4 mm? -103.76 145.02 30.7 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.683 0.278 . . . . 0.0 110.671 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -82.75 84.03 7.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.68 0.753 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.508 HG13 HG23 ' A' ' 23' ' ' THR . 0.1 OUTLIER -127.44 135.39 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.391 -179.278 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.23 161.75 53.23 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.965 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.49 -32.03 73.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.04 -37.53 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 HG13 ' A' ' 19' ' ' VAL . 5.2 m -59.42 -45.13 92.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.152 0.501 . . . . 0.0 110.729 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -32.59 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -38.82 76.65 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.603 0.24 . . . . 0.0 110.8 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.702 HG12 HD23 ' A' ' 46' ' ' LEU . 37.9 mt -70.02 -50.22 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.642 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -65.58 -19.92 66.11 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.952 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.513 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -64.53 -29.64 70.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.985 0.421 . . . . 0.0 111.315 178.008 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.55 -32.15 2.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.818 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.522 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -71.97 -44.29 66.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.811 0.339 . . . . 0.0 111.054 -177.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 55' ' ' VAL . 26.3 mt -94.44 -51.88 4.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.221 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 30.3 t -63.87 -38.68 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -93.26 -10.65 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.791 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 69.78 37.7 76.05 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.215 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -84.54 159.64 58.07 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.269 -0.466 . . . . 0.0 111.671 -172.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.36 144.16 50.04 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.728 2.285 . . . . 0.0 111.292 170.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -72.91 -36.04 67.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.0 -172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.22 93.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -41.18 94.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.914 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -40.7 69.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.057 -176.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.2 -51.79 58.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.674 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -74.19 -27.0 60.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -80.72 -37.7 30.12 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.564 -0.455 . . . . 0.0 112.146 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -19.03 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.535 0.207 . . . . 0.0 111.513 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.78 14.4 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.477 -175.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.702 HD23 HG12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.54 162.82 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.25 154.74 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -68.09 -38.28 82.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.52 0.2 . . . . 0.0 110.663 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.84 -29.25 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.586 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.96 -37.02 59.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.761 0.28 . . . . 0.0 110.951 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 26' ' ' ILE . 52.3 t -69.08 -41.36 81.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.074 0.464 . . . . 0.0 110.266 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -71.87 -22.02 61.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.386 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.84 -39.76 72.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 0.0 110.291 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.72 90.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.932 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.622 HG21 HD23 ' A' ' 31' ' ' LEU . 2.6 p -68.44 -39.39 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.519 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -66.63 -51.31 57.68 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.149 -179.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 2.0 tpt180 -68.55 -48.13 65.07 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.27 -42.67 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 110.98 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.14 -44.91 87.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.252 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 56' ' ' HIS . . . -63.8 -31.41 72.58 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.327 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.65 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.258 0.348 . . . . 0.0 111.023 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -70.35 -44.66 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.93 -35.67 81.9 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -73.26 -32.37 64.66 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.2 tttm . . . . . 0 N--CA 1.464 0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.527 ' HG2' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -83.48 103.58 12.94 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' B' ' 78' ' ' LEU . 29.5 m -92.21 148.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.303 -173.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.543 HG21 ' HD3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -125.74 114.41 18.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.65 178.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' B' ' 90' ' ' GLU . . . -135.03 156.6 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.039 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.789 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 3.1 t -87.1 120.41 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.442 ' HB2' HG21 ' B' ' 74' ' ' VAL . 3.2 mt -152.82 152.04 27.68 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.11 155.0 62.09 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 121.703 1.602 . . . . 0.0 111.168 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.82 -19.2 65.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.14 -51.93 67.9 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -73.03 -40.5 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.898 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.71 65.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.809 -177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -52.27 -44.92 65.21 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.417 0.448 . . . . 0.0 110.737 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.434 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -83.64 -28.48 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 t -68.11 -30.7 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -66.49 -31.5 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.649 0.261 . . . . 0.0 111.275 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.06 -37.5 64.23 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -67.7 -31.56 71.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.84 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 0.9 OUTLIER -64.26 -45.33 88.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.754 176.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.18 -30.37 68.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.991 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.39 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.823 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.556 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -69.91 -38.37 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.455 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -69.0 -33.44 73.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.874 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.888 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.533 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.224 0.535 . . . . 0.0 111.491 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -110.31 169.54 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.81 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.89 160.48 14.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.722 ' HG2' HG12 ' B' ' 32' ' ' VAL . 2.6 mt-10 -66.27 -23.76 66.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.18 24.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 0.0 110.968 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -25.27 63.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.564 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.684 ' HE1' ' HB2' ' B' ' 27' ' ' ALA . 85.8 t80 -64.39 -50.89 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.46 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.33 75.6 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.511 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -35.65 76.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.165 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.55 -41.97 53.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.965 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.415 HG22 HG23 ' B' ' 58' ' ' VAL . 22.6 pt -76.66 -14.83 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.55 111.58 9.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.402 . . . . 0.0 110.237 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.06 -5.06 41.84 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -101.78 138.91 38.14 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -86.71 84.51 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.22 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.33 135.74 62.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.978 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.18 160.34 53.88 Favored Glycine 0 N--CA 1.439 -1.149 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.237 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.03 -33.25 67.01 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.255 0.622 . . . . 0.0 112.259 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -60.93 -50.85 71.73 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.304 0.377 . . . . 0.0 111.157 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.463 ' HA ' HD11 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -63.41 -36.81 84.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 111.448 -179.19 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.513 HG21 ' HZ ' ' B' ' 10' ' ' PHE . 89.7 mt -69.33 -34.99 65.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.683 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -36.62 69.65 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.474 HD13 ' HG ' ' B' ' 46' ' ' LEU . 26.6 mt -65.29 -50.51 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.211 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.684 ' HB2' ' HE1' ' B' ' 10' ' ' PHE . . . -63.14 -25.28 68.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.869 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.663 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.6 mtp180 -65.81 -28.55 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.502 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.566 ' HA3' ' HE2' ' B' ' 40' ' ' PHE . . . -104.57 -42.59 1.83 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.089 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.24 -40.56 87.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 123.068 0.547 . . . . 0.0 111.073 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' B' ' 4' ' ' ARG . 42.1 mt -96.86 -54.96 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.339 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.722 HG12 ' HG2' ' B' ' 7' ' ' GLU . 56.7 t -68.83 -37.47 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.593 ' HB3' ' HG3' ' B' ' 35' ' ' LYS . 3.6 t0 -94.15 -9.89 34.97 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.691 -0.631 . . . . 0.0 110.553 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.415 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 72.65 30.96 63.3 Favored Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.265 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.593 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 16.9 mttm -86.57 154.2 56.18 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.627 -0.287 . . . . 0.0 110.982 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.63 152.77 70.04 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.834 2.356 . . . . 0.0 112.706 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.18 -36.48 77.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.489 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.03 85.69 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.266 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.31 90.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.753 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.566 ' HE2' ' HA3' ' B' ' 29' ' ' GLY . 0.2 OUTLIER -69.34 -33.27 72.86 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.671 -175.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.29 86.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -28.73 60.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.158 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.0 m -69.54 -47.22 64.42 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.449 ' HB3' HD21 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -99.65 -17.38 17.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.682 -176.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.74 35.21 9.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.276 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.474 ' HG ' HD13 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -87.42 169.98 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 178.215 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.68 159.17 18.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 169.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -63.8 -34.45 77.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.659 0.266 . . . . 0.0 111.28 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.62 -28.62 67.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.339 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.37 -37.3 66.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.059 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.425 ' HA ' HG23 ' B' ' 26' ' ' ILE . 58.6 t -67.59 -43.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.182 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -72.67 -20.15 61.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.514 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.1 -33.89 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.92 71.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.728 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.498 HG22 HD21 ' B' ' 31' ' ' LEU . 1.5 p -68.68 -37.17 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.46 ' O ' ' HB1' ' B' ' 60' ' ' ALA . 0.8 OUTLIER -64.8 -37.4 87.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.744 178.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -56.23 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.851 -176.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.415 HG23 HG22 ' B' ' 14' ' ' ILE . 90.3 t -71.27 -44.68 72.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.879 -171.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.492 ' HB2' HD22 ' B' ' 31' ' ' LEU . 72.2 t-105 -66.69 -43.87 83.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.375 -176.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' B' ' 56' ' ' HIS . . . -65.09 -31.32 72.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 111.492 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.18 80.71 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -60.65 -45.48 93.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.15 -43.07 99.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.275 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.724 -177.257 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.235 0 CA-C-O 120.559 0.219 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.543 ' HD3' HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -92.02 104.68 17.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 178.212 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 78' ' ' LEU . 29.0 m -95.23 148.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.368 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.4 127.56 54.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 178.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.84 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -148.94 165.99 29.94 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.618 HG21 ' HG2' ' A' ' 90' ' ' GLU . 2.4 t -96.62 124.67 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -151.36 152.2 30.46 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -176.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.1 141.07 87.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.204 1.936 . . . . 0.0 111.531 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.52 -28.44 69.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.384 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -37.38 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.5 OUTLIER -73.15 -38.21 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.319 175.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.47 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -62.27 -22.97 66.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.791 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -52.71 -45.41 66.91 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.559 0.537 . . . . 0.0 110.539 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 82' ' ' GLN . 0.1 OUTLIER -84.24 -31.62 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 -179.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 95.7 t -64.14 -34.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.917 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' B' ' 90' ' ' GLU . 8.4 tpt180 -60.47 -33.19 72.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.465 176.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -38.64 76.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 110.58 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -76.54 -30.06 56.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.34 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.789 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 31.7 tt0 -66.16 -48.38 70.94 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.349 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.9 66.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.58 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 -32.38 52.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.2 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 110.344 176.772 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 5.2 tp -89.31 169.46 11.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.572 -175.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.412 ' HB ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -102.96 166.22 10.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -22.15 66.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.439 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.412 ' OG ' ' HB ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.89 -56.84 13.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.127 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -68.26 -32.65 72.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.724 ' HE1' ' HB1' ' A' ' 27' ' ' ALA . 87.6 t80 -60.35 -53.0 62.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.573 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -66.56 -30.36 70.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 -178.498 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 57.4 mt-10 -66.4 -38.3 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -72.95 -49.43 29.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.43 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.417 HD11 HG23 ' A' ' 24' ' ' ILE . 5.2 pt -75.76 -22.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -173.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.5 tp60 -64.8 -34.2 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.892 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.3 15.89 62.38 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.833 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -128.31 162.89 26.0 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.092 0.472 . . . . 0.0 111.198 -177.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -113.82 92.55 4.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.206 174.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.14 147.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.53 157.14 45.08 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.455 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.62 -39.27 93.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.593 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -62.93 -44.03 97.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.799 0.333 . . . . 0.0 110.182 177.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -59.37 -39.05 82.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.781 177.506 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.417 HG23 HD11 ' A' ' 14' ' ' ILE . 95.8 mt -69.17 -52.56 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.938 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.593 ' HG2' ' HA ' ' A' ' 22' ' ' GLN . 3.5 pt-20 -61.03 -36.26 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.695 -174.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 85.7 mt -70.32 -48.32 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB1' ' HE1' ' A' ' 10' ' ' PHE . . . -60.52 -30.8 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.702 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.707 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 15.1 ttp85 -67.42 -29.38 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.7 -22.24 16.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.573 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.471 HG11 ' HG ' ' A' ' 31' ' ' LEU . 2.2 t -84.93 -51.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.987 0.423 . . . . 0.0 111.069 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 30.0 mt -92.6 -49.14 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.219 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.707 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 51.7 t -67.22 -29.89 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 111.32 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.61 -10.27 25.43 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.226 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.467 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 58.23 49.26 77.51 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.648 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -111.84 159.81 32.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.678 0.275 . . . . 0.0 111.468 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.59 133.19 41.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.895 2.396 . . . . 0.0 112.172 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.66 -30.9 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.033 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.44 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.242 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.336 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -41.45 95.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.008 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.21 73.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.113 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -32.3 73.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.948 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.3 m -78.63 -43.58 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.651 0.262 . . . . 0.0 111.343 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -82.18 -22.96 35.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.709 0.29 . . . . 0.0 111.26 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 15.26 71.28 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.408 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -90.13 167.04 13.04 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.33 154.8 37.11 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -34.93 79.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.774 0.321 . . . . 0.0 110.584 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.253 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.45 72.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.57 -42.36 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 m -73.03 -20.78 60.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.74 -34.09 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.223 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -63.5 -49.21 74.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.132 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.515 ' H ' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -65.51 -38.49 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -41.15 96.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -75.98 -54.2 7.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.41 -46.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.729 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -66.6 -37.71 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.02 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.07 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 17' ' ' LEU . . . -63.11 -47.07 84.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.1 -42.83 95.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.117 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.81 -46.48 68.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' CG ' ' HE2' ' B' ' 81' ' ' HIS . 35.8 t70 -67.51 -28.11 67.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.583 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -74.99 105.91 6.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.705 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' B' ' 78' ' ' LEU . 15.7 m -99.64 138.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.512 HG22 HG21 ' B' ' 75' ' ' THR . 0.0 OUTLIER -113.39 129.17 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.944 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.594 ' HA ' ' HG3' ' B' ' 90' ' ' GLU . . . -152.05 151.15 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.005 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 4.0 p -86.83 136.8 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.55 153.34 21.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 29.5 Cg_endo -64.99 136.02 46.59 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.855 1.703 . . . . 0.0 110.793 171.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -29.26 57.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.629 -176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 13.9 m80 -61.9 -51.02 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 3.9 mp0 -72.85 -30.32 63.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HA ' HG21 ' A' ' 86' ' ' VAL . . . -63.35 -23.71 67.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.276 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.47 ' HB3' ' O ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -57.54 -35.64 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.507 176.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 82' ' ' GLN . 2.5 mt -75.96 -37.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.541 . . . . 0.0 109.827 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.477 HG21 ' HA ' ' A' ' 83' ' ' ALA . 38.7 t -62.21 -31.13 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.725 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -41.03 67.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 176.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -78.9 -30.77 45.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.708 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.2 -32.68 69.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.831 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 4.3 tt0 -60.53 -41.4 94.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.125 0.488 . . . . 0.0 110.141 175.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.93 60.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.798 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.65 -46.73 74.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.31 75.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -67.6 -43.18 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.327 0.584 . . . . 0.0 109.969 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.604 ' HG3' ' HA3' ' B' ' 34' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.0 tp -126.29 146.85 49.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.76 157.43 23.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.122 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.46 -34.64 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.28 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.81 -32.61 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.622 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 44.5 t80 -60.25 -54.27 47.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.816 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.14 -26.64 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -37.65 82.14 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.749 177.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.71 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.364 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -80.56 2.04 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.18 -37.83 81.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.665 0.269 . . . . 0.0 111.608 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.42 7.28 36.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.742 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.499 ' HA ' HD13 ' B' ' 17' ' ' LEU . 1.8 mm? -103.86 150.29 24.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.425 . . . . 0.0 111.843 -175.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.26 84.68 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.611 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.67 132.31 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.826 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.29 170.98 47.06 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.041 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -55.95 -44.02 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.033 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.424 ' OE1' HD21 ' B' ' 46' ' ' LEU . 28.1 mm-40 -60.81 -44.31 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.208 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.612 ' HA ' ' HB1' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -56.24 -42.96 78.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.934 0.397 . . . . 0.0 110.904 178.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.31 -53.63 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.3 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 43.3 mt-10 -62.44 -38.52 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.759 -174.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.652 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 75.5 mt -65.88 -47.24 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.621 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.622 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.4 -25.1 67.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.62 ' HA ' HG23 ' B' ' 32' ' ' VAL . 1.1 tmm_? -61.7 -28.73 69.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.916 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -103.77 -37.34 3.0 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.464 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.721 HG11 ' HB ' ' B' ' 55' ' ' VAL . 2.6 t -69.7 -51.87 37.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.837 0.351 . . . . 0.0 111.351 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -90.5 -44.25 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.704 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.9 t -73.75 -41.53 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.547 ' CG ' ' HZ1' ' B' ' 35' ' ' LYS . 34.9 t0 -83.57 -12.34 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.604 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 65.84 50.53 52.63 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.168 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.592 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -120.08 154.18 55.65 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.627 0.251 . . . . 0.0 111.586 -171.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.592 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 12.3 Cg_endo -57.78 149.16 70.67 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.966 2.444 . . . . 0.0 112.203 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.622 ' HB3' HG11 ' B' ' 51' ' ' VAL . 3.5 mp0 -86.32 -25.06 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.376 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.22 81.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.286 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.41 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.346 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.652 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 1.5 t80 -64.34 -43.05 95.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.55 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.778 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -59.28 -38.63 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.858 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -70.14 -42.76 72.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -17.48 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.454 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.76 29.19 39.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.227 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.424 HD21 ' OE1' ' B' ' 22' ' ' GLN . 0.2 OUTLIER -100.44 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.29 154.02 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.01 70.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.24 -42.3 99.74 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.702 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.05 82.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.915 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.622 HG11 ' HB3' ' B' ' 37' ' ' GLN . 53.9 t -62.85 -45.48 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -19.23 62.68 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.903 0.382 . . . . 0.0 111.26 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.07 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.863 0.363 . . . . 0.0 110.136 175.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.612 ' HB1' ' HA ' ' B' ' 23' ' ' THR . . . -62.75 -48.78 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.502 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.721 ' HB ' HG11 ' B' ' 30' ' ' VAL . 0.9 OUTLIER -62.59 -42.37 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.45 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.371 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -49.4 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.33 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.94 -41.79 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.6 -39.56 93.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.82 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.456 ' HB3' HD21 ' B' ' 17' ' ' LEU . . . -66.4 -35.4 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.013 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.73 -47.7 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.53 -28.84 69.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.823 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.539 176.356 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 1.1 ttm-85 -75.3 105.87 6.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.816 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 m -103.19 137.31 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.283 0.564 . . . . 0.0 111.373 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' THR . . . . . 0.512 HG21 HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -105.57 132.41 51.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.702 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.831 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -145.31 171.64 14.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.012 0.434 . . . . 0.0 111.076 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 t -110.97 126.77 68.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.575 ' HB2' HG21 ' A' ' 74' ' ' VAL . 9.7 mt -151.24 155.43 34.68 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.84 132.89 44.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.11 1.873 . . . . 0.0 111.253 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . 0.448 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.7 OUTLIER -61.39 -18.88 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.514 -178.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . 0.414 ' HE2' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.978 174.671 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -73.18 -27.03 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -56.56 -24.5 47.48 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -58.04 -41.61 83.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.832 0.349 . . . . 0.0 110.315 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.91 -28.99 15.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.212 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' B' ' 83' ' ' ALA . 99.1 t -62.37 -38.56 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.268 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.3 78.95 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 110.36 175.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -40.53 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.353 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -66.03 -35.14 79.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.594 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -62.57 -46.08 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 110.515 177.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -31.61 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.207 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.04 -35.95 72.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.233 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.013 0.435 . . . . 0.0 110.341 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.591 ' HG ' ' CZ3' ' A' ' 59' ' ' TRP . 6.9 mt -133.21 156.4 47.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.865 0.364 . . . . 0.0 111.254 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.31 155.91 17.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 166.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.04 -22.88 67.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.719 0.295 . . . . 0.0 111.617 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -46.89 77.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.178 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.54 -25.78 59.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.878 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.464 ' O ' HG12 ' A' ' 14' ' ' ILE . 44.3 t80 -67.57 -43.56 80.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.367 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -36.63 84.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.41 -37.04 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.061 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -74.95 -45.76 40.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.385 -177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 10' ' ' PHE . 19.0 pt -72.26 -39.23 63.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.57 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 1.6 mt-30 36.57 -109.18 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.422 1.089 . . . . 0.0 113.525 176.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -120.88 33.13 4.53 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 17' ' ' LEU . 2.7 mm? -73.87 153.72 39.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.27 83.42 7.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.569 0.699 . . . . 0.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.99 137.57 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.506 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.51 144.56 35.85 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.399 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -25.91 67.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.553 ' O ' HG12 ' A' ' 26' ' ' ILE . 4.0 tt0 -66.56 -47.65 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 174.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -32.85 73.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.59 -41.75 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 110.262 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -33.58 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.193 176.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.698 HD11 HD13 ' A' ' 46' ' ' LEU . 27.8 mm -70.14 -46.72 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.96 70.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.753 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.9 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.715 176.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.67 -4.08 87.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.95 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG22 ' HG ' ' A' ' 31' ' ' LEU . 16.9 m -111.76 -49.0 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 117.795 0.797 . . . . 0.0 111.251 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.639 ' HG ' HG22 ' A' ' 30' ' ' VAL . 13.1 mt -81.89 -59.27 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.499 0.19 . . . . 0.0 110.677 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 28' ' ' ARG . 3.1 t -64.96 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.749 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.05 -34.71 64.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 98.05 51.02 1.53 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.594 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -143.24 159.96 53.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.921 0.361 . . . . 0.0 111.198 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.38 164.43 20.42 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.806 2.337 . . . . 0.0 112.692 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 55' ' ' VAL . 22.2 mt-30 -74.26 -34.29 63.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.879 -174.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.65 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.104 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.22 90.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.465 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.608 ' HE2' ' HA ' ' A' ' 26' ' ' ILE . 1.8 t80 -67.91 -33.33 74.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.36 92.28 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.92 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -28.76 67.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -73.45 -47.15 43.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -94.27 -20.86 19.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.677 0.275 . . . . 0.0 111.595 -177.074 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.49 31.74 7.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.783 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.698 HD13 HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -95.23 167.62 11.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.715 0.293 . . . . 0.0 110.271 178.771 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.22 161.2 15.16 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 48' ' ' ARG . 6.2 ttp-105 -61.72 -39.91 93.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.75 93.59 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.072 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.78 -38.98 73.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 111.082 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.606 HG11 ' HB3' ' A' ' 37' ' ' GLN . 90.5 t -69.31 -42.02 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.289 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 58.3 m -66.08 -22.95 66.43 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.847 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -64.76 -41.23 96.06 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.52 -43.68 72.56 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.054 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 37' ' ' GLN . 59.3 t -61.02 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.302 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -62.75 -47.59 82.88 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.921 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -43.11 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' A' ' 10' ' ' PHE . 62.5 t -76.59 -46.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.114 -177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.591 ' CZ3' ' HG ' ' A' ' 5' ' ' LEU . 18.2 t-105 -65.42 -35.98 82.55 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.28 90.51 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.427 0.156 . . . . 0.0 111.328 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -28.57 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 61.9 t80 -67.21 -52.43 41.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.807 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.78 -27.85 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.334 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.04 -37.8 88.76 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.127 0.489 . . . . 0.0 110.388 174.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt . . . . . 0 CA--C 1.532 0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.013 177.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HB3' HG22 ' B' ' 75' ' ' THR . 4.8 mtt180 -95.78 116.32 28.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.041 0.448 . . . . 0.0 110.018 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' B' ' 78' ' ' LEU . 29.6 m -85.52 140.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.306 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.711 HG22 ' HB3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.93 125.82 32.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.351 -173.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -132.86 156.03 47.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.114 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.6 t -78.03 111.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.746 ' HB2' HG23 ' B' ' 74' ' ' VAL . 0.3 OUTLIER -155.53 150.78 21.1 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.288 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.39 163.77 30.95 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.332 2.021 . . . . 0.0 113.465 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -18.97 63.42 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -69.23 -34.8 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.643 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.582 ' HG2' HD23 ' A' ' 78' ' ' LEU . 26.6 tp60 -72.66 -31.5 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.06 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.546 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.45 -22.55 66.95 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.32 -47.23 72.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.189 0.519 . . . . 0.0 110.241 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.419 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -81.37 -32.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.545 -178.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.546 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 69.7 t -64.96 -33.29 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.814 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.55 91.43 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.889 176.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -28.0 56.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -74.39 -33.37 63.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.536 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 17.7 tt0 -72.57 -28.31 62.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.755 0.312 . . . . 0.0 110.528 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.99 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.274 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -27.04 36.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.871 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.32 -36.38 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.144 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -24.59 57.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 178.407 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.505 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.86 0.362 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 7.2 mt -120.54 155.47 33.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.18 169.86 10.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.028 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -35.89 78.92 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -77.98 -27.53 49.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.924 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.07 -35.6 76.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.695 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.32 -33.38 74.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.776 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG11 ' B' ' 58' ' ' VAL . . . -74.9 -49.21 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.09 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.05 -42.37 52.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 CA-C-O 119.238 -0.41 . . . . 0.0 111.731 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.457 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.4 OUTLIER 45.25 -104.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -126.33 26.33 5.26 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD13 ' B' ' 17' ' ' LEU . 1.9 mm? -70.14 140.95 52.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.78 0.432 . . . . 0.0 110.903 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 84.27 7.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.887 0.851 . . . . 0.0 110.335 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.97 140.05 49.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.604 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.64 50.33 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.663 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.97 -29.8 69.87 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.525 0.33 . . . . 0.0 111.476 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.512 ' O ' HG12 ' B' ' 26' ' ' ILE . 1.2 tp-100 -64.19 -48.08 77.3 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 174.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.551 HG23 ' HB3' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.93 -33.32 75.74 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.425 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.83 -44.26 89.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.101 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -26.58 68.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.757 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.701 HD13 HD13 ' B' ' 46' ' ' LEU . 11.2 mm -68.0 -49.82 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -30.01 68.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.726 ' HA ' HG22 ' B' ' 32' ' ' VAL . 2.1 ttt180 -67.88 -33.93 75.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 175.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.511 ' O ' ' HE2' ' B' ' 35' ' ' LYS . . . -88.58 -4.81 75.9 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.688 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.636 HG21 ' HG ' ' B' ' 31' ' ' LEU . 15.5 m -112.02 -48.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 117.563 0.682 . . . . 0.0 111.086 174.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.636 ' HG ' HG21 ' B' ' 30' ' ' VAL . 10.0 mt -83.3 -58.38 2.86 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.319 -0.238 . . . . 0.0 110.928 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.726 HG22 ' HA ' ' B' ' 28' ' ' ARG . 8.3 t -66.03 -36.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.889 0.376 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.05 -37.3 58.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.313 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.505 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 96.29 51.08 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.42 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.511 ' HE2' ' O ' ' B' ' 29' ' ' GLY . 0.0 OUTLIER -147.58 153.48 43.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.975 0.388 . . . . 0.0 110.844 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.63 166.88 14.52 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.89 2.393 . . . . 0.0 113.368 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.584 ' HG2' HG22 ' B' ' 55' ' ' VAL . 10.0 mt-30 -74.48 -31.49 62.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.071 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.75 90.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.794 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -43.12 99.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.587 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -71.16 -34.16 70.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.147 -178.109 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.72 84.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.004 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -34.48 62.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 m -70.62 -54.64 11.2 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.85 -7.16 54.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.09 41.06 8.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.986 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.701 HD13 HD13 ' B' ' 26' ' ' ILE . 0.4 OUTLIER -109.75 165.14 11.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.592 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 51' ' ' VAL . 0.0 OUTLIER -88.25 157.08 18.88 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.421 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -41.58 90.37 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.23 -25.92 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 113.028 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -40.32 60.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 110.888 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.656 HG22 HD12 ' B' ' 46' ' ' LEU . 19.6 t -66.78 -46.22 86.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.026 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 45.8 m -66.03 -22.44 66.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -44.58 72.06 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.656 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.551 ' HB3' HG23 ' B' ' 23' ' ' THR . . . -68.87 -40.01 79.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.584 HG22 ' HG2' ' B' ' 37' ' ' GLN . 89.4 t -62.72 -45.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.35 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -64.58 -44.0 92.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.752 -178.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -65.77 -51.42 59.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 111.565 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' B' ' 13' ' ' ALA . 24.7 t -65.63 -46.0 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.095 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.522 ' CZ3' ' HG ' ' B' ' 5' ' ' LEU . 14.9 t-105 -67.1 -36.88 82.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.0 91.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.02 -28.03 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -75.9 -56.25 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.09 -47.26 52.69 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 120.689 0.281 . . . . 0.0 111.32 -175.222 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.066 0.46 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.711 ' HB3' HG22 ' A' ' 75' ' ' THR . 58.6 mtt-85 -100.75 119.89 39.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.391 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.746 HG23 ' HB2' ' A' ' 78' ' ' LEU . 30.3 m -84.79 141.05 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -126.43 135.56 51.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.844 -173.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.4 29.92 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.466 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.536 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -78.8 108.15 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.158 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.585 ' HB2' HG23 ' A' ' 74' ' ' VAL . 20.0 mt -149.1 152.64 36.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -174.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.95 170.04 19.84 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.57 2.18 . . . . 0.0 112.829 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.89 -22.81 63.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.237 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -62.34 -48.65 78.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.633 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -72.78 -29.37 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.859 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.4 -23.18 66.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.062 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -53.24 -48.05 68.52 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.498 0.499 . . . . 0.0 110.856 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.476 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -76.53 -27.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 -178.461 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 76' ' ' ALA . 53.3 t -64.73 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.67 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -25.17 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.21 -34.61 32.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -77.53 -21.49 52.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.386 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.644 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 10.4 tt0 -59.2 -44.66 92.24 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.752 0.657 . . . . 0.0 110.778 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.74 62.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.699 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.4 -30.79 37.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.354 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.232 176.002 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.74 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tp -111.05 160.82 16.5 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.806 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -99.92 167.13 10.71 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.81 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.98 75.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.443 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -77.01 -23.53 52.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.629 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HA ' HD21 ' A' ' 5' ' ' LEU . 48.9 t80 -62.31 -40.68 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 110.25 175.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.61 -39.29 80.92 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.865 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -29.63 69.94 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.767 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . . . -75.66 -33.51 60.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.316 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 pt -106.1 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -48.04 70.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.93 -14.17 63.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.491 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' HA ' HD11 ' A' ' 17' ' ' LEU . 1.9 mm? -85.49 158.84 20.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.703 0.287 . . . . 0.0 110.569 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -109.26 91.62 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.0 109.706 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.13 142.5 37.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.26 143.49 44.56 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.342 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.57 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.58 0.352 . . . . 0.0 111.841 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -64.8 -50.87 65.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -66.32 -34.17 77.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.205 178.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.39 -35.46 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.854 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.41 -32.79 70.55 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.422 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 23' ' ' THR . 33.3 mt -71.83 -47.05 58.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.212 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HA ' HG21 ' A' ' 30' ' ' VAL . . . -67.24 -19.87 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.712 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.67 -29.03 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 175.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.33 -45.29 1.72 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.829 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.906 HG22 ' HB ' ' A' ' 55' ' ' VAL . 27.3 m -73.55 -24.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.24 0.52 . . . . 0.0 112.341 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 HD11 ' CE3' ' A' ' 59' ' ' TRP . 6.4 tp -107.43 -52.59 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 18.4 t -67.95 -50.09 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.78 -23.55 39.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.74 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 76.19 38.74 33.72 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.828 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -86.56 147.27 43.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.693 -0.253 . . . . 0.0 111.039 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.66 132.08 48.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.156 2.571 . . . . 0.0 112.936 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -73.47 -27.56 61.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.979 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.16 93.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -75.71 -39.06 58.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.762 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.498 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -63.65 -33.33 75.39 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.222 -177.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.71 ' HA ' HG23 ' A' ' 51' ' ' VAL . . . -61.45 -41.11 96.71 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.46 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -26.16 59.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.618 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -73.75 -44.26 56.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.693 0.282 . . . . 0.0 111.253 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -33.08 37.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.159 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.86 11.15 50.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.86 168.71 10.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 156.16 38.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -37.97 87.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.005 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -25.62 72.98 Favored Glycine 0 C--N 1.335 0.482 0 O-C-N 123.62 0.575 . . . . 0.0 113.223 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.62 42.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.423 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.71 HG23 ' HA ' ' A' ' 41' ' ' ALA . 54.9 t -72.4 -40.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.575 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 25.5 p -74.13 -17.49 60.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.29 -33.72 76.64 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.131 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.1 -45.1 51.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.821 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.906 ' HB ' HG22 ' A' ' 30' ' ' VAL . 8.1 p -66.0 -38.79 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.417 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -67.63 -41.57 83.7 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.521 177.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 1.4 tpt180 -62.2 -56.54 17.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -175.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.32 -40.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.011 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.446 ' CE3' HD11 ' A' ' 31' ' ' LEU . 44.1 t-105 -69.28 -31.51 70.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 56' ' ' HIS . . . -65.28 -39.36 92.48 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.648 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.21 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.42 -44.96 73.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.68 -27.84 64.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.92 0.39 . . . . 0.0 111.184 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -15.38 61.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 177.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HE3' ' HA ' ' A' ' 13' ' ' ALA . 24.6 mttm . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -84.79 105.31 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.0 m -93.35 138.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.283 0.563 . . . . 0.0 110.748 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 132.32 53.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -141.6 171.3 14.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' B' ' 73' ' ' ARG . 6.6 t -109.16 125.67 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HB2' HG22 ' B' ' 74' ' ' VAL . 3.2 mt -156.85 152.18 21.84 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 123.491 0.495 . . . . 0.0 109.735 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.461 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 37.4 Cg_exo -60.88 152.09 72.87 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.175 1.917 . . . . 0.0 111.53 173.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 3.0 mt-10 -72.29 -19.33 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.09 -37.03 84.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.848 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 86' ' ' VAL . 53.6 mm-40 -73.3 -36.5 66.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.415 173.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -63.09 -22.58 66.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -52.5 -45.5 66.22 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.224 0.61 . . . . 0.0 110.353 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -33.84 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 92.9 t -66.41 -31.7 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.243 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HA ' ' HD2' ' A' ' 88' ' ' LYS . 25.0 mmmt -78.34 -34.17 48.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.128 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -69.88 -33.45 72.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.968 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -33.85 75.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.738 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.71 83.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.607 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -20.86 43.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.217 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -75.73 -27.22 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.335 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.16 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.675 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.1 mtp-105 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 6.2 tp -131.61 146.47 52.22 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.724 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 157.0 27.8 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.685 ' HG2' HG12 ' B' ' 32' ' ' VAL . 2.6 mt-10 -63.54 -23.24 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -49.46 68.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.746 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -77.82 -26.14 49.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.707 ' HE1' ' HB1' ' B' ' 27' ' ' ALA . 46.4 t80 -65.51 -47.72 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.208 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -70.03 -27.88 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.634 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -34.24 77.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.978 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.33 73.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.544 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pt -95.25 5.21 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.766 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.57 91.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.371 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.72 18.5 31.94 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -121.11 130.33 53.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.719 0.295 . . . . 0.0 110.464 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -92.0 84.61 5.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 110.206 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.79 152.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 141.86 43.92 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.247 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -62.02 -25.59 67.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.854 0.462 . . . . 0.0 112.191 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -44.68 89.74 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.014 0.196 . . . . 0.0 110.667 177.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.431 ' HA ' HD13 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.81 -35.15 78.11 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.947 0.403 . . . . 0.0 111.038 177.14 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.38 -41.96 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.475 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -26.29 65.47 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.778 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.57 HD12 HD23 ' B' ' 46' ' ' LEU . 46.1 mt -71.54 -46.36 63.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 109.739 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.707 ' HB1' ' HE1' ' B' ' 10' ' ' PHE . . . -67.58 -19.74 65.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.464 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.564 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.3 mtp180 -61.15 -28.62 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.823 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.18 -48.57 1.43 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.834 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 m -77.22 -22.3 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 117.536 0.668 . . . . 0.0 112.702 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.445 HD11 HG22 ' B' ' 55' ' ' VAL . 0.4 OUTLIER -106.4 -50.2 3.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.73 0.3 . . . . 0.0 111.066 -177.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.685 HG12 ' HG2' ' B' ' 7' ' ' GLU . 79.1 t -71.18 -53.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.946 0.403 . . . . 0.0 111.337 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -81.82 -16.98 49.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.675 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 70.13 42.04 68.43 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.84 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -85.74 146.84 44.67 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.18 . . . . 0.0 110.728 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.59 132.68 47.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.96 -25.09 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.539 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.92 77.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.474 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -37.08 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.453 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.58 ' HB3' HG12 ' B' ' 51' ' ' VAL . 0.8 OUTLIER -66.33 -38.94 88.83 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.91 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.406 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -23.63 60.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.7 m -76.2 -36.31 58.69 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.402 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.76 -5.44 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.55 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 23.28 68.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.497 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.57 HD23 HD12 ' B' ' 26' ' ' ILE . 0.3 OUTLIER -93.99 167.8 11.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.909 -178.208 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.04 154.99 35.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -69.23 -39.02 78.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.341 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.52 -26.55 72.94 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.568 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.7 58.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.718 0.294 . . . . 0.0 111.352 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.58 HG12 ' HB3' ' B' ' 40' ' ' PHE . 41.1 t -69.29 -40.27 80.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.271 0.558 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.434 ' O ' HG11 ' B' ' 55' ' ' VAL . 33.4 m -73.22 -19.62 61.05 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.563 177.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -33.54 69.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.587 0.232 . . . . 0.0 110.86 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -43.53 70.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.339 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.445 HG22 HD11 ' B' ' 31' ' ' LEU . 4.3 p -66.25 -35.0 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' B' ' 60' ' ' ALA . 0.0 OUTLIER -65.32 -50.29 66.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.487 177.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -52.08 48.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.49 -43.73 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 123.249 0.343 . . . . 0.0 111.196 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -64.09 -45.37 89.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.517 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' B' ' 56' ' ' HIS . . . -65.92 -35.18 79.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.585 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.81 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.199 0.312 . . . . 0.0 110.977 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -72.84 -43.34 62.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.069 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.61 -35.23 70.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.407 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.404 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.445 ' HD2' HG22 ' A' ' 77' ' ' VAL . 2.0 mmm180 -96.57 104.76 16.77 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 78' ' ' LEU . 34.5 m -96.1 134.59 33.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.438 0.637 . . . . 0.0 112.001 -169.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.66 114.49 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.157 177.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.58 146.01 50.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.972 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -78.1 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.214 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.82 148.66 17.32 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.579 0.228 . . . . 0.0 110.642 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' B' ' 82' ' ' GLN . 28.5 Cg_endo -65.57 147.2 86.24 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.004 1.803 . . . . 0.0 110.78 169.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -35.62 70.05 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -42.41 80.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.537 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . 0.0 OUTLIER -72.7 -29.52 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 177.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.46 66.62 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.002 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -53.07 -42.72 66.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.094 0.474 . . . . 0.0 110.396 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.47 -28.72 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.958 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.17 -32.69 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.964 0.411 . . . . 0.0 110.192 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -33.97 77.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.74 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -28.42 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.539 ' HA ' ' HB2' ' B' ' 92' ' ' ASP . 12.4 m95 -81.59 -19.95 40.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 2.8 tm-20 -64.35 -42.94 95.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.645 0.736 . . . . 0.0 109.283 171.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.15 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.948 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.539 ' HB2' ' HA ' ' B' ' 89' ' ' TRP . 1.2 t0 -70.69 -37.77 73.63 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . 0.461 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 110.464 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.487 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 121.0 0.428 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 5' ' ' LEU . 10.7 tp -117.15 165.23 13.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.455 -176.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.74 162.73 13.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.924 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.42 ' HG3' HG12 ' A' ' 32' ' ' VAL . 4.3 mt-10 -67.07 -36.6 82.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 111.099 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.1 75.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.141 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -77.91 -31.43 51.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.471 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.774 ' HE1' ' HB2' ' A' ' 27' ' ' ALA . 85.6 t80 -66.01 -47.55 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.132 175.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -32.4 72.66 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.81 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.35 -39.45 93.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -72.5 -45.22 60.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.756 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.99 3.86 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -58.63 6.09 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.07 16.47 20.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.239 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.6 mm? -92.93 121.41 34.25 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.23 84.58 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.341 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.03 29.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.242 177.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 146.12 43.88 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.897 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.22 -18.14 65.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.58 -44.5 74.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.326 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.444 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -73.2 -35.2 66.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.5 -36.37 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.743 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -34.49 77.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 51' ' ' VAL . 34.6 mt -67.02 -50.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.774 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -67.52 -37.88 83.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -95.01 -31.76 7.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.05 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -76.51 -43.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -176.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD11 ' HE3' ' A' ' 59' ' ' TRP . 92.2 mt -94.67 -55.87 2.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.408 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 HG12 ' HG3' ' A' ' 7' ' ' GLU . 4.9 t -69.67 -46.07 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -173.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 28.2 t0 -79.8 -21.15 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 0.0 109.881 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 86.17 51.05 3.66 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.995 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -103.73 133.97 19.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 120.411 0.148 . . . . 0.0 110.721 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 5.7 Cg_exo -76.2 57.1 5.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.649 2.9 . . . . 0.0 114.771 -175.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.21 -83.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 168.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -27.58 69.4 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -169.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.463 ' HG1' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -67.71 -37.81 82.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.092 0.472 . . . . 0.0 110.645 177.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 1.6 t80 -69.91 -32.74 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.57 73.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.399 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.62 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -68.81 -44.24 73.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -90.95 -15.08 30.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 30.38 25.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.824 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.7 mt -108.16 163.43 13.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.85 155.95 32.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.411 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -66.05 -37.37 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.24 -34.64 69.5 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.811 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.14 75.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.622 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.494 ' HA ' HG22 ' A' ' 26' ' ' ILE . 22.8 t -62.12 -49.55 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.906 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.579 ' HA ' HG21 ' A' ' 55' ' ' VAL . 29.2 m -66.58 -26.09 66.95 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.677 -178.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -33.55 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.83 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.5 -42.33 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG21 ' HA ' ' A' ' 52' ' ' SER . 2.0 t -60.79 -43.27 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -65.27 -45.08 85.96 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -52.73 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.52 -39.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.499 ' HE3' HD11 ' A' ' 31' ' ' LEU . 17.6 t-105 -67.91 -38.43 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.598 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.04 89.62 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.708 0.289 . . . . 0.0 110.992 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -68.49 -37.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.688 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.42 -51.13 62.4 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.389 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -38.79 75.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.969 -174.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.33 -39.81 64.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.529 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' B' ' 76' ' ' ALA . 40.1 ttp85 -101.52 115.93 31.62 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.678 HG22 ' HB2' ' B' ' 78' ' ' LEU . 35.5 m -90.13 106.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.373 1.082 . . . . 0.0 111.204 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -113.32 113.76 25.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.627 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -150.26 170.17 19.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -173.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.529 HG22 ' HG2' ' B' ' 90' ' ' GLU . 0.4 OUTLIER -91.11 136.2 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.773 176.669 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' HG ' ' HD2' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -157.1 147.55 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.847 -178.036 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.515 ' HD2' ' HG ' ' A' ' 78' ' ' LEU . 52.5 Cg_exo -55.74 132.97 55.27 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.267 1.978 . . . . 0.0 111.319 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -22.83 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.21 -46.35 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.726 0.298 . . . . 0.0 110.68 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -34.84 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.333 174.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.04 -22.68 64.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.278 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -53.42 -47.08 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.204 0.526 . . . . 0.0 110.302 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.814 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.24 -31.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.281 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -67.17 -27.67 67.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -33.07 35.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 109.924 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -70.9 -18.74 62.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.927 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.545 ' CG ' ' HA ' ' B' ' 76' ' ' ALA . 0.5 OUTLIER -62.84 -50.45 70.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.597 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.88 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.983 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 11.6 t0 -78.89 -40.72 31.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.675 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.52 -35.44 73.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.926 0.394 . . . . 0.0 110.672 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.0 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.548 175.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.287 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.578 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 1.8 ttt180 . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -125.9 152.89 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.387 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 155.99 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.439 ' HG3' HG12 ' B' ' 32' ' ' VAL . 1.7 mp0 -64.33 -22.86 67.09 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.35 86.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.717 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -78.34 -28.54 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.918 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.629 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 51.1 t80 -63.81 -47.14 82.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.73 178.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -35.02 79.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.272 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -65.19 -35.72 81.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.044 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.16 -41.53 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.209 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -90.99 -5.5 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -61.14 2.5 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.84 25.58 24.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.642 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.6 OUTLIER -113.13 126.51 55.53 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.899 0.381 . . . . 0.0 110.373 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.37 84.12 6.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.478 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.49 146.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.561 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 152.3 51.25 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.301 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.475 ' HA ' HD11 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.58 -17.39 64.8 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.672 0.272 . . . . 0.0 110.326 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.679 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.51 -40.71 96.14 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.257 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' B' ' 21' ' ' GLN . 30.8 mt -69.97 -34.45 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.768 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -38.19 65.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.568 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.541 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 60.6 mt -66.56 -50.11 69.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.629 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -63.23 -25.44 68.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.842 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.461 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -72.27 -38.07 68.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.04 178.332 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 -0.58 57.43 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.471 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.715 HG12 HG21 ' B' ' 55' ' ' VAL . 1.4 t -112.52 -48.64 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.714 HD22 HG12 ' B' ' 55' ' ' VAL . 63.1 mt -89.05 -52.67 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.079 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 23.8 t -67.51 -40.79 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.009 0.433 . . . . 0.0 111.331 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.43 -28.12 52.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.302 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.576 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 82.09 51.11 4.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.884 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 142.35 33.06 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.749 -0.225 . . . . 0.0 110.714 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.93 154.32 73.77 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.501 2.134 . . . . 0.0 112.366 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -29.75 69.12 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.204 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.46 92.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.209 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.01 -31.68 72.72 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.394 0.434 . . . . 0.0 111.694 -174.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.5 78.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.973 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -37.07 60.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.902 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -55.8 11.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 0.0 111.811 -176.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -88.61 -10.5 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.125 -174.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 41.04 19.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.82 167.75 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.812 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.98 156.5 18.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.568 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -39.23 85.7 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.082 0.239 . . . . 0.0 111.609 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.39 -28.71 73.89 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.936 -0.574 . . . . 0.0 113.145 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.76 32.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.812 0.306 . . . . 0.0 111.167 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.409 ' O ' HG22 ' B' ' 55' ' ' VAL . 59.7 t -63.57 -49.5 82.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.366 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -71.67 -18.22 62.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.896 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -35.2 74.09 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.429 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.679 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -72.67 -38.34 67.63 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.715 HG21 HG12 ' B' ' 30' ' ' VAL . 21.2 t -60.59 -43.37 94.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.873 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.34 -51.15 62.51 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.576 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -49.52 74.09 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -170.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.06 -40.86 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.021 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -68.97 -40.07 79.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.458 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.73 70.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.124 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.647 ' HB3' HD23 ' B' ' 17' ' ' LEU . . . -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 176.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -75.15 -33.07 61.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -31.01 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 174.753 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.637 0.256 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -89.71 105.91 18.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 170.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.5 m -88.2 140.63 15.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.568 -171.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -102.87 114.59 29.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.462 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.545 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . . . -128.75 169.01 15.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.49 ' H ' ' HG2' ' A' ' 90' ' ' GLU . 53.4 t -122.57 124.59 71.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.678 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -158.94 155.52 24.69 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.005 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.41 ' HD2' HD23 ' B' ' 78' ' ' LEU . 51.3 Cg_exo -54.63 153.8 22.53 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.488 2.125 . . . . 0.0 112.653 177.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -65.77 -18.46 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.385 -178.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -62.54 -37.76 87.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.944 0.402 . . . . 0.0 110.539 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.505 ' HG2' HD22 ' B' ' 78' ' ' LEU . 19.7 tp60 -71.74 -39.93 69.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.572 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.41 -22.78 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.562 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.35 -49.56 64.08 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 123.469 0.48 . . . . 0.0 110.19 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.06 -32.66 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.348 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.572 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 93.5 t -64.92 -34.5 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 87' ' ' ARG . 4.8 ttm105 -67.43 -29.14 68.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -76.92 -30.43 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.274 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -79.37 -24.53 42.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.004 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.529 ' HG2' HG22 ' A' ' 77' ' ' VAL . 1.7 tt0 -64.75 -46.95 80.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.461 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.78 64.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.786 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -67.82 -49.87 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.736 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 5.0 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.702 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.1 tp -121.69 134.6 54.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.94 153.99 28.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.517 -177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -51.58 -46.49 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -67.22 -38.7 85.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.044 0.449 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.415 ' CE1' HG13 ' A' ' 58' ' ' VAL . 83.6 t80 -57.92 -41.57 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.954 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -66.38 -42.53 87.79 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.15 -41.72 98.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.474 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -61.05 -49.57 76.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.927 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 pt -79.82 -26.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -59.09 -26.71 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.1 0.476 . . . . 0.0 111.946 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -93.75 3.77 71.44 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.004 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -121.14 158.24 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.312 0.577 . . . . 0.0 111.87 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 85.23 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.748 174.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.88 141.33 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.394 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.03 174.43 49.24 Favored Glycine 0 N--CA 1.438 -1.203 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.361 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.54 -36.93 81.96 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.067 -0.567 . . . . 0.0 111.968 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 26' ' ' ILE . 37.2 mt-30 -58.8 -51.08 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.76 HG22 ' HA ' ' A' ' 54' ' ' ALA . 42.1 m -59.2 -39.53 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.633 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.17 -51.04 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.83 -31.81 72.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 88.0 mt -66.59 -49.15 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.431 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.682 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 24.5 ttm-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.216 0.532 . . . . 0.0 110.151 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.98 -46.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.081 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HB ' ' A' ' 55' ' ' VAL . 2.6 t -61.97 -41.45 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 123.224 0.61 . . . . 0.0 111.825 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD11 ' HB1' ' A' ' 27' ' ' ALA . 73.4 mt -98.34 -54.25 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.702 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 41.7 t -67.33 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -172.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.23 -10.52 44.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.524 0.678 . . . . 0.0 109.949 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' CA ' ' HG3' ' A' ' 4' ' ' ARG . . . 68.26 28.37 73.34 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.878 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.706 ' HD3' ' HD1' ' A' ' 40' ' ' PHE . 37.8 tttp -76.87 133.94 69.13 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 114.756 -0.722 . . . . 0.0 110.63 -172.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.446 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 75.8 Cg_exo -50.35 127.08 19.18 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 123.133 2.555 . . . . 0.0 112.419 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.1 -37.57 85.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.194 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.8 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.317 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.446 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 p -66.33 -24.55 66.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.718 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.706 ' HD1' ' HD3' ' A' ' 35' ' ' LYS . 12.9 t80 -70.99 -51.49 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.824 ' HB2' HG22 ' A' ' 51' ' ' VAL . . . -53.35 -49.71 66.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.348 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -61.94 -32.05 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.81 0.338 . . . . 0.0 111.491 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.446 ' HB3' HD23 ' A' ' 44' ' ' LEU . 20.6 t -79.37 -44.55 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 111.023 -176.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 43' ' ' SER . 3.0 mm? -94.01 -4.26 49.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.845 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.18 34.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.761 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 27.6 mt -96.39 163.73 12.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.452 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -89.28 156.51 18.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.571 ' H ' ' HD2' ' A' ' 48' ' ' ARG . 3.4 mpt_? -62.99 -39.05 93.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.11 0.481 . . . . 0.0 109.826 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.11 -40.65 98.29 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.77 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.48 93.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.882 0.341 . . . . 0.0 111.067 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.824 HG22 ' HB2' ' A' ' 41' ' ' ALA . 45.5 t -66.39 -45.51 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.345 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 m -62.87 -30.05 71.22 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.762 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.579 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.7 tt0 -67.89 -46.78 70.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.76 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -64.5 -43.66 93.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.554 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.551 HG21 HD22 ' A' ' 31' ' ' LEU . 6.2 p -66.83 -45.17 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.238 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.56 -46.03 77.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.579 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -58.31 -57.86 11.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -173.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.415 HG13 ' CE1' ' A' ' 10' ' ' PHE . 77.0 t -64.63 -43.76 96.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -176.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.573 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 60.0 t-105 -64.5 -44.93 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.523 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -38.66 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.09 93.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.537 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.4 -47.87 83.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.181 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.73 -35.37 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.717 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.43 -41.55 84.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.156 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -121.41 131.7 54.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.113 0.482 . . . . 0.0 110.0 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.531 HG13 ' HB3' ' B' ' 83' ' ' ALA . 33.4 m -97.66 148.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -135.94 133.17 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.766 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.514 ' HB1' ' CG1' ' B' ' 86' ' ' VAL . . . -148.87 153.94 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.342 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.612 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 50.3 t -79.31 122.32 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 171.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 mt -151.26 153.69 32.9 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.02 139.74 60.8 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.058 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.82 -29.97 65.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.192 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -71.56 -24.41 61.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.46 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.1 mm-40 -71.52 -27.95 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.278 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.566 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.19 -24.87 65.12 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.74 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -56.4 -47.2 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.507 0.67 . . . . 0.0 109.991 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.4 mt -83.58 -28.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.938 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 72.0 t -61.92 -43.27 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.659 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 87' ' ' ARG . 38.3 ttp180 -63.18 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -62.33 -50.99 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.272 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -61.58 -39.56 91.62 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.738 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.737 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.1 tt0 -55.54 -48.06 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.256 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.82 44.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.76 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -70.67 -42.48 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.196 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.44 -43.11 91.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.386 . . . . 0.0 110.845 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -66.65 -23.41 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.114 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 179.382 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.518 ' HG3' ' CA ' ' B' ' 34' ' ' GLY . 12.6 ttm180 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.886 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 30.4 tp -128.61 156.04 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.25 154.12 19.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.79 -19.72 62.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.673 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.8 p -68.25 -54.28 18.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.504 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -71.02 -28.63 64.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.13 0.491 . . . . 0.0 110.386 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.21 -41.25 88.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.264 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -71.71 -37.89 70.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.14 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.24 -39.4 90.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.967 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.12 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.044 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 45.1 pt -75.29 -16.49 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.86 -28.22 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 111.387 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . 0.417 ' C ' HD21 ' B' ' 17' ' ' LEU . . . -89.04 2.49 84.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.39 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.417 HD21 ' C ' ' B' ' 16' ' ' GLY . 3.6 mm? -123.39 144.73 49.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.636 0.255 . . . . 0.0 110.966 -177.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.79 82.76 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.252 1.025 . . . . 0.0 109.67 170.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.593 HG23 HD12 ' B' ' 24' ' ' ILE . 6.4 m -114.74 135.48 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.204 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 171.62 55.16 Favored Glycine 0 N--CA 1.433 -1.544 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.699 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.36 -27.04 67.08 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.859 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.1 -40.89 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.47 HG22 ' HA ' ' B' ' 54' ' ' ALA . 25.7 m -79.99 -38.34 32.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.323 0.582 . . . . 0.0 110.33 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.593 HD12 HG23 ' B' ' 19' ' ' VAL . 59.0 mt -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.862 -174.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.13 -34.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.6 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 57.5 mt -72.15 -49.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' B' ' 31' ' ' LEU . . . -63.58 -29.44 70.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.091 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 49.7 ttm-85 -59.83 -29.42 68.25 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.899 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.8 -46.97 0.99 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.984 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.14 -43.44 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 C-N-CA 123.007 0.523 . . . . 0.0 111.715 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.683 HD22 HG21 ' B' ' 55' ' ' VAL . 69.9 mt -92.91 -60.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.489 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 26.1 t -63.38 -43.66 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.876 -173.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.5 -7.87 49.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 109.93 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.518 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 63.48 28.02 71.77 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.044 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -75.53 139.18 70.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.565 -0.318 . . . . 0.0 111.42 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.482 ' HB2' ' OG1' ' B' ' 39' ' ' THR . 50.3 Cg_exo -53.84 129.92 36.56 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.35 2.7 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.49 -39.97 92.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.208 -170.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.82 94.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.953 0.406 . . . . 0.0 111.355 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 1.3 p -74.61 -23.08 58.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.279 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 10.0 t80 -71.08 -50.65 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.836 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -51.18 -54.08 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.52 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.033 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -80.82 -38.75 27.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -99.75 3.48 44.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.34 34.58 50.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.809 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.836 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 25.0 mt -95.35 164.08 12.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.988 0.423 . . . . 0.0 110.352 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.2 p -98.21 166.31 11.46 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.651 ' HD2' ' H ' ' B' ' 48' ' ' ARG . 1.1 mpt_? -67.71 -37.31 82.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.0 -43.28 82.67 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.4 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.17 -46.05 91.03 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.707 0.254 . . . . 0.0 111.126 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.687 HG22 ' HB3' ' B' ' 41' ' ' ALA . 95.4 t -60.62 -45.56 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 110.557 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.4 m -66.3 -33.59 76.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.981 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.21 -45.38 73.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.857 0.36 . . . . 0.0 110.637 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.47 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -63.95 -45.12 90.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.443 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.683 HG21 HD22 ' B' ' 31' ' ' LEU . 7.3 p -67.77 -38.54 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.43 -50.6 64.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.006 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.19 -51.86 61.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.766 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.07 -46.05 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.747 0.308 . . . . 0.0 111.254 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.886 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 61.5 t-105 -65.35 -38.4 89.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.245 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.24 75.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.86 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.064 0.459 . . . . 0.0 110.204 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.19 -44.17 76.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.917 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.73 -42.72 93.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.328 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--N 1.327 -0.384 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.696 178.717 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 10.1 ptp180 -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.868 0.365 . . . . 0.0 110.258 177.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.7 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.176 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.4 m -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.716 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.499 ' HB1' ' CG1' ' A' ' 86' ' ' VAL . . . -140.33 146.23 38.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.375 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.737 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 67.0 t -78.67 110.97 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -150.74 146.17 19.18 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.04 152.72 49.66 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 0.0 112.275 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.45 -27.43 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.124 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.18 -28.05 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.471 ' O ' HG22 ' B' ' 86' ' ' VAL . 84.4 mm-40 -72.1 -34.25 68.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.176 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.59 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -59.92 -23.38 63.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -176.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.46 -48.38 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -84.61 -35.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.471 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.59 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 97.7 t -57.87 -42.58 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.87 -35.09 77.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.421 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -71.14 -43.68 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.644 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -65.68 -31.64 72.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.612 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 42.9 tt0 -60.53 -42.06 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.113 0.482 . . . . 0.0 110.129 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.0 -30.4 55.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.575 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.67 -37.58 86.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 110.742 177.678 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.776 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.171 0.51 . . . . 0.0 110.456 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 3.5 tp -121.35 145.68 47.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.096 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 8.3 mt-10 -64.14 -22.14 66.82 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -49.12 73.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -78.72 -23.89 45.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.748 179.291 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.639 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 65.0 t80 -63.14 -42.03 99.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.674 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -31.93 72.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.387 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.52 -38.63 90.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.698 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -68.23 -43.65 77.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.578 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.45 2.83 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.32 -37.05 84.48 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.722 0.296 . . . . 0.0 110.945 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.22 26.57 19.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.195 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -133.91 140.98 47.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.406 -179.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.61 85.35 2.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 171.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.91 173.42 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.788 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 135.72 45.95 Favored Glycine 0 C--N 1.315 -0.595 0 CA-C-N 114.418 -1.264 . . . . 0.0 112.311 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.591 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -71.74 -18.14 62.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.295 . . . . 0.0 111.513 -176.421 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -43.95 93.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 176.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.444 HG23 ' HA ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -65.56 -35.6 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 177.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' A' ' 21' ' ' GLN . 70.4 mt -68.27 -36.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.329 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.2 -37.32 85.29 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.474 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.625 HG22 ' HA ' ' A' ' 51' ' ' VAL . 21.5 mt -71.6 -49.44 46.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.639 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -63.61 -21.03 66.14 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.966 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.14 -29.01 69.81 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 177.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 -26.32 5.55 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.292 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -86.3 -40.71 14.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.877 0.37 . . . . 0.0 111.061 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -45.77 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.178 -177.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.62 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 55.2 t -74.35 -56.22 9.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 111.611 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -28.59 61.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.463 0.649 . . . . 0.0 109.741 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.776 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 77.55 43.57 15.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.146 -0.933 . . . . 0.0 112.022 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -90.1 144.42 31.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.189 . . . . 0.0 110.73 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.79 130.77 42.16 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.126 2.55 . . . . 0.0 112.441 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.05 -30.85 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.098 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.37 66.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.007 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -34.15 75.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.645 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.54 -38.38 90.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 110.633 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' HG22 ' A' ' 51' ' ' VAL . . . -66.87 -42.57 85.4 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.428 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -30.2 64.91 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 -41.73 34.42 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.663 0.245 . . . . 0.0 111.663 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.88 -7.62 48.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.77 19.72 62.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.118 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD23 HG12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -93.82 161.21 14.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -177.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -83.6 157.78 22.15 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -33.26 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.57 73.72 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.708 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.99 -40.46 27.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.625 ' HA ' HG22 ' A' ' 26' ' ' ILE . 97.5 t -68.87 -40.46 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.98 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.484 ' HA ' HG13 ' A' ' 55' ' ' VAL . 14.7 m -74.21 -19.82 60.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.229 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -69.93 -39.02 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -66.12 -45.96 79.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.722 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 11.0 p -67.15 -36.58 77.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.162 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.461 ' N ' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -66.15 -44.41 84.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.755 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.36 -57.31 5.46 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -171.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.38 -37.38 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.32 . . . . 0.0 111.283 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -61.41 -44.35 97.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.949 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.62 70.63 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.16 95.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.388 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 19.2 t80 -74.05 -32.35 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.803 178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -45.4 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -71.78 -28.78 63.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.643 0.259 . . . . 0.0 110.885 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 105.89 11.44 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG11 ' HB3' ' B' ' 83' ' ' ALA . 29.9 m -106.48 129.55 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.712 0.768 . . . . 0.0 112.106 -173.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -105.13 132.26 51.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.04 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.55 158.78 44.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.423 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 20.4 t -86.04 122.14 38.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.96 146.43 18.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.95 148.78 91.61 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.637 2.224 . . . . 0.0 112.134 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -65.03 -32.54 74.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.527 -176.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.46 -41.39 98.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -73.53 -29.95 62.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.82 -21.55 66.03 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.666 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -52.29 -44.14 64.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.123 0.487 . . . . 0.0 110.49 173.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -80.36 -36.18 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.19 -37.83 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.378 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -30.84 71.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.856 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -26.99 49.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.419 177.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -79.46 -17.66 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.497 ' HG2' ' HB2' ' B' ' 76' ' ' ALA . 38.2 mt-10 -58.74 -40.99 85.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.179 0.514 . . . . 0.0 110.772 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -23.07 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.98 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -25.98 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' B' ' 79' ' ' PRO . . . -71.39 -35.69 71.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.212 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -75.94 -19.26 58.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.815 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.263 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.513 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 2.4 mtp180 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.405 ' HB2' HD21 ' B' ' 31' ' ' LEU . 6.2 tp -135.89 149.64 49.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.047 178.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.79 159.17 25.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.9 -38.39 72.75 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -40.2 83.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.135 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.04 -26.92 48.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.993 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.612 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 79.4 t80 -64.49 -45.04 89.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -69.83 -26.87 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.935 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -33.51 73.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -74.86 -47.51 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.26 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.56 ' HA ' ' HB2' ' B' ' 17' ' ' LEU . 2.5 pt -84.29 6.62 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -49.85 27.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.944 0.898 . . . . 0.0 112.723 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.43 19.9 23.72 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.191 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' B' ' 14' ' ' ILE . 0.3 OUTLIER -94.75 99.41 11.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.167 0.508 . . . . 0.0 111.184 -177.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.05 84.15 4.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.005 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 m -129.14 178.75 4.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.914 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 132.35 35.77 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.415 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.61 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.2 tt0 -67.61 -17.56 64.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -58.91 -43.04 91.0 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.849 0.295 . . . . 0.0 110.774 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -40.1 90.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.136 0.493 . . . . 0.0 111.129 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' B' ' 21' ' ' GLN . 17.5 mt -69.95 -34.25 59.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.294 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 80.9 mm-40 -60.09 -41.98 93.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.854 0.462 . . . . 0.0 110.683 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.453 ' HB ' ' CB ' ' B' ' 54' ' ' ALA . 13.7 mt -72.4 -49.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.612 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.612 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.33 -22.35 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.431 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 3.8 ttm105 -65.8 -29.1 69.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.263 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.2 -31.42 3.31 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.631 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.6 -44.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.006 0.432 . . . . 0.0 110.542 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.593 HD12 HG21 ' B' ' 55' ' ' VAL . 0.9 OUTLIER -91.87 -45.32 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 15.9 t -76.3 -53.41 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.519 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 19.6 t70 -74.28 -29.21 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.253 0.549 . . . . 0.0 109.962 -177.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 83.99 43.61 7.08 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.899 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.473 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -96.92 140.18 21.97 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.391 . . . . 0.0 110.775 -178.019 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.473 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 88.7 Cg_exo -50.35 141.47 32.09 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.134 2.556 . . . . 0.0 112.578 173.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -76.93 -34.57 57.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.504 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.17 68.35 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -39.37 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.269 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.52 -32.52 73.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.957 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.26 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.72 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -46.52 33.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -63.37 -51.11 67.25 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' B' ' 46' ' ' LEU . 7.8 mt -95.66 -8.04 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.289 . . . . 0.0 111.543 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.22 33.53 32.1 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.336 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -89.92 168.88 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.243 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.99 169.88 10.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -46.63 81.94 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 111.053 -177.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.97 74.83 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.696 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.91 71.52 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.629 0.252 . . . . 0.0 111.371 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.65 -41.09 87.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 10.2 m -68.28 -27.16 66.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.474 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 5.4 tp-100 -66.83 -37.78 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.629 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.453 ' CB ' ' HB ' ' B' ' 26' ' ' ILE . . . -67.84 -45.84 73.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.973 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.593 HG21 HD12 ' B' ' 31' ' ' LEU . 8.9 p -71.35 -38.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.375 -177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -68.23 -47.47 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 179.307 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.0 OUTLIER -69.78 -46.72 65.13 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -171.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.75 -40.06 85.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.372 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -60.01 -47.82 84.26 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.055 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -30.99 71.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.888 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.474 ' HB2' HD23 ' B' ' 17' ' ' LEU . . . -65.4 -36.34 83.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.968 176.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 13.1 t80 -75.61 -36.63 60.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.961 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.5 -37.65 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.517 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 t0 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 110.986 178.403 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.12 104.45 16.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.11 116.74 48.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.314 -174.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -99.5 114.29 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.34 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.497 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -131.71 153.69 49.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.97 113.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 151.21 34.2 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.628 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 93' ' ' ALA . 38.2 Cg_exo -61.62 150.45 85.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.793 2.328 . . . . 0.0 113.12 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.87 69.58 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.899 -176.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -69.87 -39.2 76.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.893 0.377 . . . . 0.0 110.612 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -72.7 -26.83 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.908 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.486 ' HB3' HG11 ' A' ' 74' ' ' VAL . . . -62.89 -22.56 66.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.475 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.38 -46.96 69.84 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.423 0.63 . . . . 0.0 110.435 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.95 -25.66 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.067 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' B' ' 83' ' ' ALA . 45.9 t -69.61 -31.14 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -28.86 66.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -76.51 -33.82 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.038 0.447 . . . . 0.0 110.481 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -73.14 -26.72 61.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.128 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 3.5 tt0 -63.03 -35.35 79.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.961 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.65 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.492 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -31.48 38.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.125 173.711 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.61 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 2.9 mpt_? . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.6 tp -112.14 159.39 18.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.143 -176.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.2 151.64 22.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 42.9 mt-10 -68.57 -21.27 64.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.917 -172.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -63.56 -55.33 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -70.54 -23.88 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.55 ' CE2' HG23 ' A' ' 24' ' ' ILE . 77.0 t80 -64.2 -45.95 86.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.577 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.47 -32.44 72.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 37.2 mt-10 -72.11 -43.93 63.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.02 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -61.26 -30.32 70.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.253 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 10' ' ' PHE . 41.5 pt -96.14 -11.91 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -42.49 -60.03 1.66 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.62 18.46 32.25 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.508 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD21 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -102.77 148.33 25.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 111.332 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.76 84.84 7.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.59 128.61 60.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.159 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.3 172.49 49.13 Favored Glycine 0 N--CA 1.433 -1.552 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.052 175.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -53.97 -37.32 63.84 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 123.756 0.327 . . . . 0.0 111.347 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 26' ' ' ILE . 95.6 mt-30 -59.23 -51.74 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.933 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.613 HG23 ' HA ' ' A' ' 54' ' ' ALA . 25.5 m -61.78 -38.6 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.409 0.623 . . . . 0.0 110.291 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.55 HG23 ' CE2' ' A' ' 10' ' ' PHE . 75.6 mt -69.02 -46.97 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.843 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.74 -31.22 67.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.416 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 22' ' ' GLN . 89.2 mt -69.5 -46.13 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . -64.62 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.666 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 54.6 ttt180 -58.31 -28.89 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.292 0.568 . . . . 0.0 110.007 176.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA3' ' HZ ' ' A' ' 40' ' ' PHE . . . -93.69 -60.39 1.15 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.556 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 33.9 m -63.54 -29.38 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 117.302 0.551 . . . . 0.0 112.234 -174.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 HG22 ' A' ' 55' ' ' VAL . 91.9 mt -102.82 -61.38 1.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.237 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.666 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.5 t -63.66 -43.48 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.031 0.443 . . . . 0.0 111.3 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 23.2 t70 -86.53 -18.41 31.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.514 0.673 . . . . 0.0 109.777 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.61 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 68.72 29.8 72.73 Favored Glycine 0 CA--C 1.504 -0.606 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.013 -174.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 30' ' ' VAL . 21.6 ttmm -82.4 136.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.697 -0.751 . . . . 0.0 111.175 -170.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -52.91 131.0 40.3 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.212 2.608 . . . . 0.0 112.637 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -56.56 -33.66 66.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.865 -174.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.43 -26.72 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.722 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.2 m -62.93 -47.47 83.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.627 ' HZ ' ' HA3' ' A' ' 29' ' ' GLY . 80.3 m-85 -70.68 -35.28 72.72 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.547 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.42 83.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.553 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.5 m -75.18 -50.89 14.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -73.77 -43.74 58.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -171.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 40' ' ' PHE . 7.2 mp -91.04 -4.23 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -177.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.5 29.23 68.25 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.792 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.48 157.64 19.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.931 0.396 . . . . 0.0 110.419 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 p -81.04 155.73 26.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.757 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -66.61 -27.07 67.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.797 -174.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.54 -30.3 53.65 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.545 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.87 -42.86 48.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.16 -39.22 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.274 0.559 . . . . 0.0 110.275 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 p -77.86 -19.76 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.411 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.42 -45.95 81.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.074 0.464 . . . . 0.0 110.178 176.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -62.49 -42.71 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.05 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.709 HG22 HD23 ' A' ' 31' ' ' LEU . 6.8 p -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.795 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -66.68 -45.81 77.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 23' ' ' THR . 22.8 tpt180 -56.86 -53.07 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.961 -175.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.5 t -78.41 -43.12 26.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 68.0 t-105 -65.02 -41.69 95.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.241 -175.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.24 89.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.66 90.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.715 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.99 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.825 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.91 -39.37 89.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.399 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.91 -22.25 63.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.651 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.603 ' HE2' ' HB3' ' A' ' 12' ' ' GLU . 26.3 mtpp . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.034 0.445 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.9 119.51 39.65 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' B' ' 78' ' ' LEU . 35.9 m -85.15 144.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.245 0.545 . . . . 0.0 110.936 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -135.25 118.71 16.84 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.183 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.95 172.93 12.06 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.51 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 70.4 t -77.1 108.25 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' B' ' 93' ' ' ALA . 54.6 mt -151.44 88.63 4.3 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.579 -175.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.75 176.63 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.275 1.984 . . . . 0.0 112.548 -177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.35 45.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.715 -165.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -64.31 -43.58 94.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.038 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.1 mm100 -71.57 -40.96 69.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.194 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HB3' HG11 ' B' ' 74' ' ' VAL . . . -59.75 -24.09 63.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.518 -175.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -52.76 -50.02 64.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -79.99 -32.57 14.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.009 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.433 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 91.4 t -58.71 -45.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.934 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -62.41 -33.95 75.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.246 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -76.54 -29.48 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -78.92 -17.88 54.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.378 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.772 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 36.0 tt0 -55.89 -43.85 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 111.157 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.36 55.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.47 -39.92 77.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.727 ' HB3' HD22 ' B' ' 78' ' ' LEU . . . -65.88 -40.86 92.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.917 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.9 -34.5 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.201 0.524 . . . . 0.0 110.284 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 95' ' ' LYS . 1.3 tmmt? . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.639 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.551 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 10.7 mtt180 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.069 0.461 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 26.2 tp -125.01 153.8 42.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.514 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.03 151.75 20.0 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.01 -0.431 . . . . 0.0 110.153 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' B' ' 11' ' ' GLN . 45.1 mt-10 -66.83 -21.46 66.03 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -68.32 -46.99 68.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.373 0.606 . . . . 0.0 109.996 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -78.04 -22.87 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.588 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.36 -38.85 91.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.132 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 82.3 mm-40 -66.58 -34.97 79.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.615 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 51.1 mt-10 -69.58 -41.37 75.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.587 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.17 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.515 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 pt -78.05 -44.37 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' B' ' 12' ' ' GLU . 19.4 tm0? 44.2 -83.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.738 1.215 . . . . 0.0 113.231 174.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.21 32.75 1.14 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.4 154.62 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.97 82.51 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.29 141.81 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.049 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.78 156.83 40.94 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.022 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.3 -29.19 67.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.381 -0.409 . . . . 0.0 111.657 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.42 ' O ' HG13 ' B' ' 26' ' ' ILE . 90.4 mt-30 -62.2 -40.0 94.61 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.344 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.506 HG23 ' HA ' ' B' ' 54' ' ' ALA . 26.2 m -64.82 -40.99 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.442 0.639 . . . . 0.0 110.095 175.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.01 -41.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.246 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -63.98 -36.6 84.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' B' ' 51' ' ' VAL . 85.8 mt -69.15 -44.95 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.543 ' HB3' HD13 ' B' ' 31' ' ' LEU . . . -63.66 -28.58 70.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.293 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.716 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 60.0 ttt180 -60.04 -27.3 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.594 ' HA3' ' CZ ' ' B' ' 40' ' ' PHE . . . -99.37 -55.78 1.02 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.197 -1.002 . . . . 0.0 112.391 177.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.539 HG22 ' HB ' ' B' ' 55' ' ' VAL . 33.9 m -65.72 -28.08 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' B' ' 27' ' ' ALA . 72.4 mt -101.88 -57.76 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.32 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 82.8 t -58.54 -42.64 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.188 0.518 . . . . 0.0 111.429 -177.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -98.39 -13.92 20.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.112 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.551 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 69.36 31.92 71.66 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -81.94 138.16 46.5 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.061 -171.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.76 140.73 94.77 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.898 2.399 . . . . 0.0 111.744 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.593 ' HB3' HG11 ' B' ' 51' ' ' VAL . 0.2 OUTLIER -62.76 -22.31 66.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.35 -172.02 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -35.78 66.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.914 -175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -62.33 -52.22 64.52 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.918 0.389 . . . . 0.0 111.399 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.594 ' CZ ' ' HA3' ' B' ' 29' ' ' GLY . 87.9 m-85 -73.09 -43.14 62.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.726 ' HB3' HG23 ' B' ' 51' ' ' VAL . . . -64.48 -56.65 12.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.581 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.7 m -71.36 -34.0 70.07 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.7 t -81.6 -49.92 9.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.63 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.36 -2.31 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 28.79 45.39 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.642 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.613 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 82.0 mt -98.71 154.91 17.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.045 0.45 . . . . 0.0 109.788 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -95.07 156.56 16.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -51.01 -48.24 61.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.169 0.293 . . . . 0.0 111.272 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.16 -28.22 73.29 Favored Glycine 0 N--CA 1.452 -0.259 0 O-C-N 123.583 0.552 . . . . 0.0 113.133 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.58 -39.19 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.154 0.502 . . . . 0.0 110.138 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.726 HG23 ' HB3' ' B' ' 41' ' ' ALA . 98.8 t -72.01 -41.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.04 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.528 ' HA ' HG13 ' B' ' 55' ' ' VAL . 33.8 p -69.27 -28.26 66.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.13 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.32 -42.73 99.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.101 0.476 . . . . 0.0 110.221 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.506 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -67.43 -45.13 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.463 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.539 ' HB ' HG22 ' B' ' 30' ' ' VAL . 7.4 p -64.55 -40.95 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.37 -51.0 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -63.02 -46.85 85.66 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 -44.05 81.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.031 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.493 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 69.3 t-105 -64.77 -40.54 95.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.005 0.431 . . . . 0.0 110.527 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.67 96.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.571 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.21 76.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.22 -55.7 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -71.5 -28.83 64.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 111.248 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 179.228 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 106.14 14.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.687 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.3 m -88.67 148.14 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.026 0.441 . . . . 0.0 110.806 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.1 m -111.73 131.31 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.936 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.25 158.7 43.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.877 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.772 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 59.2 t -78.96 113.74 18.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 93' ' ' ALA . 63.7 mt -151.03 143.91 16.67 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.758 0.661 . . . . 0.0 109.487 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.0 Cg_exo -63.87 147.86 92.02 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.235 2.623 . . . . 0.0 112.624 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.04 69.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.419 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.76 -39.27 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.418 . . . . 0.0 110.181 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.51 -26.87 61.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.47 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.64 63.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.119 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -53.14 -49.06 67.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.7 mt -76.23 -29.66 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.931 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -36.05 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.447 176.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -66.38 -31.12 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.983 0.421 . . . . 0.0 110.55 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -75.89 -31.69 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.313 0.578 . . . . 0.0 109.858 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.487 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 15.5 m95 -73.39 -18.73 61.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.009 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.51 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 1.1 tm-20 -57.43 -49.3 76.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.342 0.592 . . . . 0.0 109.942 177.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -24.49 44.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.352 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.487 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 15.3 t70 -71.36 -39.57 71.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.9 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . 0.773 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.333 -0.149 0 CA-C-O 121.014 0.435 . . . . 0.0 110.604 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.591 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.343 0.592 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 6.6 tp -91.02 174.76 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.809 -168.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -102.29 167.99 9.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 -38.02 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.152 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -59.95 -47.24 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.921 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.497 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 96.4 mt-30 -76.84 -25.31 53.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 0.0 110.701 -178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.64 -42.45 98.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.645 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -62.97 -30.44 71.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.057 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.85 -36.84 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.481 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -74.7 -49.78 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.771 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.6 pt -77.42 -12.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -174.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -47.53 -55.17 9.73 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.6 8.56 68.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.012 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.1 mm? -111.51 133.25 53.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.909 0.385 . . . . 0.0 111.635 -175.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -87.36 84.54 7.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.438 0.637 . . . . 0.0 109.775 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 m -116.9 138.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.008 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.5 145.7 49.68 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.96 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.9 -25.74 44.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.28 0.232 . . . . 0.0 111.212 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.529 ' O ' HG13 ' A' ' 26' ' ' ILE . 33.9 tt0 -59.06 -51.68 69.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -69.39 -31.44 69.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.52 -45.71 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.4 -32.0 70.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 22' ' ' GLN . 74.1 mt -70.03 -50.12 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.276 0.56 . . . . 0.0 109.601 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -63.88 -27.32 69.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.421 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.669 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 71.8 ttt180 -64.01 -28.17 69.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 0.0 110.821 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -105.88 -38.06 2.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.963 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.65 -37.35 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-O 121.172 0.51 . . . . 0.0 111.309 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 10.3 tt -103.45 -33.78 8.95 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.443 -173.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 88.7 t -89.21 -56.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.605 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.6 t70 -70.98 -35.9 72.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 0.0 109.338 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.591 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 99.63 22.19 12.99 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.676 173.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HG3' ' OD2' ' A' ' 33' ' ' ASP . 58.8 mttp -74.54 139.06 74.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 32.5 Cg_exo -58.5 127.02 23.09 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.19 2.594 . . . . 0.0 112.8 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -50.15 -54.3 21.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.66 -168.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.46 70.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.789 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -66.22 -43.96 85.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 110.268 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.11 -44.39 88.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.865 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -57.43 -56.03 27.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.5 m -64.43 -28.97 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.662 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.6 m -74.0 -46.78 41.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.79 -7.05 53.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.1 22.9 43.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.115 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.09 156.6 16.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -79.86 155.32 27.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -66.62 -27.45 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.93 -45.13 86.28 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.022 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.06 83.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 41' ' ' ALA . 71.0 t -64.9 -45.06 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.424 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.519 ' HA ' HG13 ' A' ' 55' ' ' VAL . 62.7 p -69.62 -32.65 71.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.652 0.263 . . . . 0.0 110.678 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -61.15 -45.21 95.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.147 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' A' ' 23' ' ' THR . . . -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.703 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 52' ' ' SER . 14.3 p -69.12 -37.76 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.612 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -65.83 -50.21 65.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 111.054 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 26.7 tpt180 -61.46 -55.25 33.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.233 -175.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.93 -47.0 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -61.51 -48.17 82.25 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.866 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.28 72.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.044 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.35 87.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 110.773 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -67.13 -45.25 77.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.721 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.3 -39.81 91.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.795 -178.619 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -119.92 129.77 54.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.028 0.442 . . . . 0.0 110.041 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.564 HG23 ' HB2' ' B' ' 78' ' ' LEU . 15.9 m -88.02 128.27 40.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.167 0.508 . . . . 0.0 110.556 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -120.97 113.89 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.753 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.92 163.64 33.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.462 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.77 109.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.791 HD23 ' HB3' ' B' ' 93' ' ' ALA . 56.2 mt -147.31 126.69 6.47 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.791 ' HD3' ' HB2' ' B' ' 93' ' ' ALA . 52.3 Cg_exo -55.73 146.38 66.35 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.836 2.358 . . . . 0.0 112.51 -176.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -53.65 -31.06 45.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.267 -174.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -64.95 -29.81 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.755 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -72.58 -27.48 62.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.779 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.94 -23.84 66.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.338 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.733 ' HD1' HD13 ' A' ' 85' ' ' ILE . 58.4 t80 -53.02 -39.5 63.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.077 174.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.733 HD13 ' HD1' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -83.76 -35.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.87 -38.51 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.074 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -58.06 -33.65 69.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.298 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.18 -28.15 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.182 0.515 . . . . 0.0 110.266 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -82.52 -22.65 34.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.586 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.598 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 33.5 tt0 -61.87 -51.13 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.287 0.565 . . . . 0.0 110.057 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.2 62.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.561 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.74 -44.16 34.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.303 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' B' ' 79' ' ' PRO . . . -68.68 -35.1 76.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.484 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' ' 94' ' ' LYS . 38.2 ttmt -66.5 -32.22 73.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.47 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.964 178.475 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.624 ' HD3' ' O ' ' B' ' 32' ' ' VAL . 5.7 ppt_? . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.33 0.586 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.3 171.83 8.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.855 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -98.79 160.56 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.47 -36.55 84.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.27 . . . . 0.0 111.332 -176.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -61.56 -42.13 98.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 90.9 mt-30 -78.17 -26.71 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.601 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.474 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 23.6 mm-40 -59.97 -36.56 77.39 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.81 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' B' ' 9' ' ' GLN . 65.9 mm-40 -64.05 -40.56 96.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.952 0.406 . . . . 0.0 111.286 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.532 -175.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.401 HD12 ' NE2' ' B' ' 11' ' ' GLN . 41.7 pt -116.15 -14.66 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 11' ' ' GLN . 44.8 tt0 -41.96 -61.57 1.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.767 0.827 . . . . 0.0 112.91 -170.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.53 35.38 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.637 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' B' ' 17' ' ' LEU . 3.9 mm? -100.98 146.35 27.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.948 0.404 . . . . 0.0 110.911 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -85.86 83.62 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.673 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -135.26 144.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.481 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.64 141.66 40.8 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.567 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.465 ' HA ' HD11 ' B' ' 24' ' ' ILE . 12.3 pt20 -54.24 -34.8 61.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.526 0.203 . . . . 0.0 111.277 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.522 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.2 mt-30 -62.39 -47.53 83.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.67 68.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.887 0.375 . . . . 0.0 111.082 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' B' ' 21' ' ' GLN . 82.7 mt -68.45 -49.56 64.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.2 0.524 . . . . 0.0 109.992 174.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 42.8 mt-10 -64.51 -29.53 70.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.786 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 22' ' ' GLN . 85.0 mt -71.72 -48.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 0.0 109.715 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -61.5 -28.2 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.665 -176.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.688 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 53.9 ttt180 -62.92 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.717 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -102.57 -43.72 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.624 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.578 HG22 HG11 ' B' ' 51' ' ' VAL . 5.9 t -70.82 -40.78 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.248 0.547 . . . . 0.0 111.57 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.2 tt -104.09 -30.81 10.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.678 -172.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.688 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 99.1 t -96.12 -43.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 11.9 t70 -78.97 -28.03 43.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.592 0.711 . . . . 0.0 109.229 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.526 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 96.22 25.46 12.55 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.245 -0.888 . . . . 0.0 112.22 176.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 125.37 60.11 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-O 120.632 0.253 . . . . 0.0 110.926 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.98 144.56 44.95 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.081 2.521 . . . . 0.0 112.125 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -58.09 -35.31 71.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.112 -173.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.06 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.298 . . . . 0.0 111.02 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.0 m -68.27 -52.47 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.91 -38.57 91.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.17 -174.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' B' ' 51' ' ' VAL . . . -58.54 -51.17 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -65.61 -37.51 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.097 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -61.7 -50.11 73.76 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.28 -12.8 25.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.41 9.44 61.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.374 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.91 155.98 28.78 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.0 p -80.81 155.15 26.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -65.08 -31.85 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.982 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.88 -35.86 92.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.55 -38.45 62.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 110.411 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.578 HG11 HG22 ' B' ' 30' ' ' VAL . 83.6 t -68.48 -43.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.417 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.8 p -69.77 -28.25 65.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -62.99 -40.26 97.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.96 74.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.473 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.48 -36.78 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.211 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.48 -50.64 68.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 0.0 111.699 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.464 ' HA ' ' HD2' ' B' ' 57' ' ' ARG . 20.4 tpt180 -70.01 -49.84 47.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.463 -172.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.52 -45.45 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.54 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -59.61 -48.66 80.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.397 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.6 85.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.268 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.74 87.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.336 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.557 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 86.1 t80 -64.15 -40.83 96.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.447 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.38 -38.6 87.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.872 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.066 -179.013 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -117.83 134.13 55.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 78' ' ' LEU . 33.1 m -95.23 147.4 5.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.071 0.462 . . . . 0.0 110.723 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.5 m -140.95 118.04 11.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.335 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.95 165.4 29.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.887 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.598 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.0 t -81.47 107.99 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.564 ' HB2' HG23 ' A' ' 74' ' ' VAL . 5.7 mp -146.58 127.54 7.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 51.0 Cg_exo -54.62 145.08 61.08 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.506 2.138 . . . . 0.0 111.668 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.75 -17.88 26.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.733 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -56.23 -39.07 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.985 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.415 ' O ' HG21 ' B' ' 86' ' ' VAL . 32.8 mm-40 -72.44 -31.17 65.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.649 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.403 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.92 -24.01 66.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . 0.674 ' HD1' HD11 ' B' ' 85' ' ' ILE . 57.6 t80 -53.45 -39.87 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.335 0.588 . . . . 0.0 110.097 174.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.674 HD11 ' HD1' ' B' ' 84' ' ' TYR . 0.3 OUTLIER -84.43 -38.54 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 82' ' ' GLN . 88.5 t -61.42 -41.71 91.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.148 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -63.97 -21.56 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -81.06 -41.69 22.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -72.29 -18.9 61.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.843 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.61 -38.51 90.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.531 . . . . 0.0 110.73 177.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.32 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.403 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.02 -35.69 36.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.504 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . 0.791 ' HB3' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.715 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 73.0 mtt180 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 13.7 tp -90.25 130.62 36.35 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 156.43 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.122 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -51.07 -45.2 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.921 0.391 . . . . 0.0 111.208 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -59.62 -47.34 85.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.144 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.87 -38.24 90.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.553 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.77 -44.15 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -44.54 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.519 178.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.99 -43.57 92.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.85 -49.44 74.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.442 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.16 -33.32 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.972 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 42.47 -88.4 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.47 1.106 . . . . 0.0 113.389 170.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.25 32.32 1.04 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -69.63 139.27 53.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 111.39 -176.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 1.5 pm0 -83.72 83.41 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.649 0.738 . . . . 0.0 110.298 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG11 ' HG2' ' A' ' 57' ' ' ARG . 12.7 m -141.66 142.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.941 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 146.65 50.09 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.691 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -54.42 -24.15 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.691 0.396 . . . . 0.0 111.519 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.488 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.5 mm-40 -59.68 -50.82 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 176.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -61.69 -37.83 85.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.474 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.09 -39.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.88 -31.51 71.36 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 22' ' ' GLN . 82.5 mt -64.43 -50.27 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.92 72.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.331 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.602 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 31.1 mtp180 -59.27 -38.87 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.04 0.34 51.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.221 -176.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG12 ' HG3' ' A' ' 37' ' ' GLN . 2.1 t -111.52 -52.18 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 55' ' ' VAL . 3.9 pp -104.44 -27.24 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.826 -177.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 87.6 t -78.67 -42.71 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.374 0.607 . . . . 0.0 109.679 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 25.4 t0 -83.55 -18.12 39.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.881 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.715 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.62 26.81 72.96 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.986 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -96.9 149.6 35.91 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.673 0.273 . . . . 0.0 111.024 -176.464 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.607 ' HB2' ' HG1' ' A' ' 39' ' ' THR . 82.1 Cg_exo -48.71 120.8 5.66 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.318 2.679 . . . . 0.0 112.527 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.516 ' HG3' HG12 ' A' ' 30' ' ' VAL . 1.7 mp0 -57.46 -35.03 69.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.618 -175.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.334 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.607 ' HG1' ' HB2' ' A' ' 36' ' ' PRO . 1.9 m -65.42 -40.8 93.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 22.8 t80 -66.66 -40.13 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.426 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.683 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -61.75 -50.0 74.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.647 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -60.69 -33.95 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.904 0.383 . . . . 0.0 111.216 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' HB3' HD11 ' A' ' 44' ' ' LEU . 8.4 t -73.29 -51.47 17.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.912 -173.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 43' ' ' SER . 7.8 mp -94.13 3.04 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 36.78 37.0 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.673 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.683 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 61.6 mt -99.37 158.76 15.5 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -100.01 157.01 16.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.64 -52.13 32.88 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.52 -43.34 97.65 Favored Glycine 0 C--O 1.227 -0.313 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.87 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.21 81.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 111.101 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' A' ' 41' ' ' ALA . 95.4 t -68.2 -41.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 110.798 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -66.49 -29.72 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.773 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.53 -41.87 96.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.77 89.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.532 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.754 ' HA ' HD21 ' A' ' 31' ' ' LEU . 9.8 p -68.33 -40.39 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.337 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -66.18 -49.77 66.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 0.0 111.301 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HG2' HG11 ' A' ' 19' ' ' VAL . 6.4 tpt180 -58.18 -49.72 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.656 -174.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HB ' HD22 ' A' ' 31' ' ' LEU . 86.0 t -74.46 -46.58 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.427 -176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.456 ' CZ3' ' HB2' ' A' ' 5' ' ' LEU . 17.4 t-105 -61.44 -41.32 97.02 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.058 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.48 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.239 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.57 -33.2 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 110.775 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.09 -41.88 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.675 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -71.82 -46.87 56.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.48 -7.51 53.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.502 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 177.245 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.577 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 37.4 ptt180 -86.63 110.1 19.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.285 0.564 . . . . 0.0 110.209 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' B' ' 75' ' ' THR . 29.3 m -87.66 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.975 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.3 m -117.37 119.4 34.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 111.205 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HA ' ' HG2' ' B' ' 90' ' ' GLU . . . -132.85 149.51 52.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.779 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 90.2 t -77.83 122.0 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.172 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.474 HD11 ' HG2' ' A' ' 82' ' ' GLN . 51.5 mt -154.72 137.45 10.17 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.1 152.31 38.22 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.476 2.118 . . . . 0.0 112.182 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.9 -22.73 64.63 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.838 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.71 -41.18 98.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.474 ' HG2' HD11 ' A' ' 78' ' ' LEU . 7.1 tp60 -72.44 -32.25 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.805 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.449 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.41 -24.93 66.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.537 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -52.85 -45.81 67.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -84.5 -29.43 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.571 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.524 HG12 ' HB ' ' B' ' 74' ' ' VAL . 92.4 t -62.64 -37.69 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.158 176.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.04 -31.95 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.949 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.75 -43.76 19.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.9 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -60.1 -36.52 77.62 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.42 -44.68 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.0 109.916 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.5 73.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.558 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.47 -35.46 79.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.628 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -64.4 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.363 0.601 . . . . 0.0 110.426 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.1 -27.04 48.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.949 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.391 177.745 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.87 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 94.7 mtt180 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.243 0.545 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.73 137.04 32.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.2 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -75.94 156.79 33.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.91 -30.65 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.075 0.464 . . . . 0.0 110.02 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -65.91 -48.77 70.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.96 -35.58 80.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.526 ' CZ ' HG21 ' B' ' 24' ' ' ILE . 67.1 t80 -62.76 -42.97 99.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.489 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -46.17 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.611 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.46 -42.15 92.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.83 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.771 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.5 pt -83.31 -39.08 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.909 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 33.08 -90.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.775 1.23 . . . . 0.0 113.692 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.89 34.97 2.04 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.13 160.15 20.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.733 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.78 83.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.877 0.846 . . . . 0.0 109.604 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -130.23 132.57 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.66 147.64 43.87 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.879 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.02 -23.88 66.65 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.631 ' HA ' ' HB3' ' B' ' 25' ' ' GLU . 20.0 mt-30 -77.93 -30.41 50.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.917 174.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.646 HG23 ' HA ' ' B' ' 54' ' ' ALA . 21.1 m -62.99 -39.01 93.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 172.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' B' ' 10' ' ' PHE . 75.2 mt -67.86 -45.32 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.349 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.631 ' HB3' ' HA ' ' B' ' 22' ' ' GLN . 3.0 tt0 -55.82 -41.21 73.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.65 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' B' ' 51' ' ' VAL . 80.3 mt -72.89 -50.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.675 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.7 71.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.887 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.673 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 16.6 mtp180 -54.14 -29.51 45.51 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 112.032 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -108.04 -35.53 2.53 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.087 -1.054 . . . . 0.0 111.539 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' B' ' 37' ' ' GLN . 4.0 t -70.15 -51.66 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.695 HD23 ' HA ' ' B' ' 55' ' ' VAL . 3.9 pp -107.53 -23.05 12.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.129 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.673 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.3 t -81.42 -50.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.835 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.458 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 28.3 t70 -80.85 -18.41 47.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.449 0.642 . . . . 0.0 109.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.87 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 68.5 41.45 84.64 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.75 -1.114 . . . . 0.0 113.283 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -106.76 152.27 40.78 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.3 124.08 5.98 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.101 2.534 . . . . 0.0 111.924 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.66 ' HG3' HG12 ' B' ' 30' ' ' VAL . 2.0 mp0 -60.07 -31.83 70.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.578 -171.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.556 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -63.3 -42.33 99.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.57 -34.9 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.842 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -56.87 -44.61 82.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.167 173.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.9 m -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.434 ' HB3' HD21 ' B' ' 44' ' ' LEU . 45.1 t -69.33 -56.1 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.177 -173.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.566 ' HB2' ' HG ' ' B' ' 46' ' ' LEU . 2.4 mm? -91.76 5.97 47.77 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.646 -172.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.53 34.83 74.05 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.242 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.842 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 62.5 mt -86.14 155.64 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.26 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -91.25 158.82 16.37 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.61 -43.78 93.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -61.98 -41.61 99.68 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.411 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.95 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.615 0.245 . . . . 0.0 111.111 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.61 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.0 t -61.91 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.7 t -67.07 -33.62 75.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 6.5 tp60 -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.341 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.646 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.39 -42.84 92.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.71 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.695 ' HA ' HD23 ' B' ' 31' ' ' LEU . 13.1 p -69.21 -36.29 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.3 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -65.99 -50.91 62.63 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.602 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -60.7 -56.97 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.359 -172.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.521 ' HB ' HD21 ' B' ' 31' ' ' LEU . 96.7 t -66.53 -41.08 87.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.6 0.238 . . . . 0.0 111.441 -174.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -65.67 -36.25 83.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.077 0.465 . . . . 0.0 110.282 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.93 77.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.648 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.351 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -61.53 -45.73 92.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.4 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -61.49 -46.19 91.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.285 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.427 -178.494 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 27.4 ptt180 -96.99 114.41 26.02 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.543 0.687 . . . . 0.0 109.187 174.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.524 ' HB ' HG12 ' A' ' 86' ' ' VAL . 31.2 m -86.45 145.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.053 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 73' ' ' ARG . 41.5 m -129.48 132.73 46.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.62 153.94 36.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.017 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.628 ' HB ' ' HB3' ' A' ' 93' ' ' ALA . 46.3 t -79.14 116.04 22.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.886 0.374 . . . . 0.0 110.379 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 77' ' ' VAL . 1.1 mt -151.15 134.28 8.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.75 147.01 90.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.517 2.145 . . . . 0.0 111.287 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . 0.713 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 47.4 mt-10 -62.38 -19.55 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.252 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -67.34 -39.89 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 109.883 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -73.38 -41.74 62.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.426 0.631 . . . . 0.0 109.572 172.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -59.72 -22.72 62.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -51.58 -45.01 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.168 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 mt -83.8 -30.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.39 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.482 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 59.8 t -63.45 -37.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.126 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -60.52 -32.51 71.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.769 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -46.1 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.482 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 19.2 m0 -63.88 -28.6 69.95 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.656 178.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.711 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 3.7 tm-20 -55.6 -51.99 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.701 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.89 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 22.0 t70 -64.75 -39.36 93.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.043 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 175.758 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.719 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.438 ' HG ' ' HZ3' ' A' ' 59' ' ' TRP . 14.0 mt -135.12 169.06 18.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.545 0.688 . . . . 0.0 112.711 -170.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.62 162.23 13.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.193 171.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -46.7 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.567 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.16 -29.21 66.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.203 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.634 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 73.5 t80 -65.8 -44.58 85.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.428 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -27.43 61.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.481 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.57 -35.01 70.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.579 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.28 84.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.517 ' HB ' HG23 ' A' ' 19' ' ' VAL . 4.9 pt -81.51 -7.48 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -73.38 118.12 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.47 0.48 67.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.123 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -106.73 155.98 19.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 110.671 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.78 84.48 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.471 0.653 . . . . 0.0 109.496 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.517 HG23 ' HB ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -120.78 128.77 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.916 -178.355 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.79 168.24 41.27 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.409 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.15 -36.78 71.14 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.255 0.622 . . . . 0.0 111.832 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.667 0.27 . . . . 0.0 110.998 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -43.07 77.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.287 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mt -70.06 -46.73 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.971 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -66.63 -31.95 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.0 -46.34 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.086 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.634 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -68.13 -19.27 64.81 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.718 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 8.9 ttm-85 -63.93 -29.36 70.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.125 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.78 -38.91 2.44 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.843 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG12 ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -70.14 -41.29 78.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 122.923 0.489 . . . . 0.0 111.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' HE3' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -94.5 -62.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.403 -178.152 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 21.4 t -54.14 -54.07 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.005 0.522 . . . . 0.0 112.253 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -22.72 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 0.0 110.205 -178.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.719 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 78.75 31.03 45.89 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.159 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -78.61 149.2 74.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.453 0.168 . . . . 0.0 110.861 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.78 136.29 44.96 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.803 2.336 . . . . 0.0 112.545 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.523 ' HG3' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -66.52 -32.07 73.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.238 -176.077 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.43 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.365 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -36.61 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.603 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -39.96 94.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.597 ' HB1' HG23 ' A' ' 51' ' ' VAL . . . -66.65 -44.26 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.194 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -66.93 -42.61 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.811 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.0 m -70.78 -50.32 37.06 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.55 -9.58 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.53 33.82 24.19 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.49 166.75 10.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.104 0.478 . . . . 0.0 110.376 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.49 155.03 22.36 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -68.42 -37.23 80.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.432 0.158 . . . . 0.0 111.092 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.61 -30.26 74.68 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.539 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.03 69.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.622 0.249 . . . . 0.0 111.013 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.597 HG23 ' HB1' ' A' ' 41' ' ' ALA . 75.8 t -66.32 -40.77 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 m -70.41 -24.66 62.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.472 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.52 -34.04 71.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.708 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.33 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.748 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' HG12 ' A' ' 30' ' ' VAL . 7.5 p -67.76 -36.57 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -48.02 75.27 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.355 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -56.3 22.42 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.567 0.542 . . . . 0.0 112.349 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.82 -35.23 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.438 ' HZ3' ' HG ' ' A' ' 5' ' ' LEU . 39.9 t-105 -69.41 -36.24 76.52 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.134 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.09 91.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.59 98.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.91 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.44 -51.83 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.221 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.45 -38.26 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.327 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.64 -41.5 83.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.967 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.687 0.28 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.75 112.06 24.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.294 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.805 HG23 ' HB2' ' B' ' 78' ' ' LEU . 32.6 m -87.73 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.027 0.441 . . . . 0.0 110.589 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.729 HG21 ' HD3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.22 133.32 45.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.712 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -143.73 152.15 40.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.58 111.15 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.695 ' HB2' HG21 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -155.36 148.38 18.2 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.636 -176.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.79 146.26 96.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.883 2.389 . . . . 0.0 112.944 -178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.76 -25.87 65.83 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.785 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -68.79 -31.87 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.805 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -26.25 61.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.422 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.84 60.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.032 0.533 . . . . 0.0 112.13 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -52.35 -47.06 66.31 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 173.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.991 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.47 -30.52 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -64.18 -29.12 70.25 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 111.09 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -38.54 48.25 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.094 0.473 . . . . 0.0 110.159 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 39.9 m0 -72.19 -24.1 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.029 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.552 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 57.0 tt0 -70.53 -38.57 74.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 175.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.81 76.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.397 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.68 -37.34 82.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.091 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.35 68.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.655 0.264 . . . . 0.0 111.011 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -40.26 94.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 0.0 109.989 173.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.553 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.628 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.38 172.67 10.44 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.368 0.604 . . . . 0.0 112.517 -171.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 p -98.97 155.72 17.28 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.007 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.437 ' HG3' HG12 ' B' ' 32' ' ' VAL . 2.7 mp0 -67.2 -24.21 65.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.845 0.355 . . . . 0.0 110.767 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -50.15 58.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.317 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -77.93 -22.94 48.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.91 0.386 . . . . 0.0 110.587 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.566 ' HE1' ' HB1' ' B' ' 27' ' ' ALA . 73.2 t80 -62.46 -38.04 88.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.467 175.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -65.4 -45.94 81.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -34.86 78.21 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.662 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.36 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.406 HG22 HG12 ' B' ' 24' ' ' ILE . 12.4 pt -81.81 -11.89 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 107.05 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.213 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.29 0.39 61.41 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.478 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -89.91 146.11 24.64 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.175 0.512 . . . . 0.0 111.176 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.11 83.76 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.344 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.39 146.36 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.088 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.08 156.46 45.59 Favored Glycine 0 N--CA 1.435 -1.414 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.064 172.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -63.42 -23.51 67.43 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.539 0.335 . . . . 0.0 111.419 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -65.07 -48.28 74.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.994 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.444 HG21 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.24 -35.72 81.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.406 HG12 HG22 ' B' ' 14' ' ' ILE . 57.6 mt -69.35 -41.28 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.14 -32.6 74.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.61 HG23 ' HA ' ' B' ' 51' ' ' VAL . 64.7 mt -71.85 -49.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.275 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.566 ' HB1' ' HE1' ' B' ' 10' ' ' PHE . . . -67.25 -19.82 65.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.162 -176.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.487 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -65.94 -34.13 77.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.888 176.071 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -99.36 -28.59 7.52 Favored Glycine 0 C--O 1.223 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.507 HG12 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -79.08 -42.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -177.367 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -97.22 -60.93 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.54 -177.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 14.5 t -60.52 -50.65 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.537 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 35.8 t0 -74.77 -50.28 17.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.628 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 109.2 49.77 0.75 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.621 175.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.4 137.6 19.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.586 0.232 . . . . 0.0 110.71 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.91 149.44 91.48 Favored 'Trans proline' 0 C--O 1.24 0.579 0 C-N-CA 123.105 2.537 . . . . 0.0 112.607 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.416 ' HA ' HG11 ' B' ' 51' ' ' VAL . 6.0 mp0 -62.36 -41.64 98.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.454 -173.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.77 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -39.18 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.936 -177.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -35.16 77.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.803 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.95 -50.56 68.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -43.01 73.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.3 m -76.63 -42.6 41.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -12.14 41.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.02 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.148 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.519 HD11 HG23 ' B' ' 51' ' ' VAL . 2.1 mt -112.85 166.02 11.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 155.06 25.21 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -63.73 -40.4 96.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.164 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -31.08 68.33 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.797 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.46 -45.91 67.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.987 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.61 ' HA ' HG23 ' B' ' 26' ' ' ILE . 48.2 t -62.23 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.905 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -71.63 -25.96 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.822 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.55 -37.59 71.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.514 0.197 . . . . 0.0 110.563 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.444 ' HB2' HG21 ' B' ' 23' ' ' THR . . . -66.04 -43.12 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.14 -177.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.507 ' HB ' HG12 ' B' ' 30' ' ' VAL . 2.2 p -65.61 -45.11 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -43.12 84.14 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -64.21 -50.02 69.67 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.21 -39.55 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -64.5 -40.01 94.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.591 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.46 80.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.969 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' B' ' 17' ' ' LEU . . . -70.56 -39.32 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.37 -40.51 93.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.69 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.04 -35.18 76.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.033 0.444 . . . . 0.0 110.708 179.119 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.891 0.377 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.729 ' HD3' HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -123.16 115.32 21.58 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.678 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.695 HG21 ' HB2' ' A' ' 78' ' ' LEU . 14.2 m -85.54 131.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.314 0.578 . . . . 0.0 111.247 -176.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.65 126.07 54.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.886 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.77 155.26 41.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.617 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.552 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 95.5 t -77.56 120.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.805 ' HB2' HG23 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -158.85 147.36 14.04 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 123.803 0.689 . . . . 0.0 109.281 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.89 157.05 45.33 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.629 2.219 . . . . 0.0 113.386 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.74 63.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.948 -175.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.216 0.531 . . . . 0.0 110.447 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.33 61.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.164 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.576 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -63.71 -23.75 67.5 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.15 -50.19 73.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.186 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.662 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.712 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.7 t -65.25 -37.01 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.011 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -68.75 -26.93 65.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.199 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -35.72 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.134 0.492 . . . . 0.0 110.089 175.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -72.82 -18.52 61.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.37 -51.86 66.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.297 0.57 . . . . 0.0 110.891 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.02 44.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.9 -40.26 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.472 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 179.272 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 N--CA 1.439 -1.001 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 28.7 mt -100.93 160.05 14.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.9 p -103.74 170.55 7.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.145 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.15 -41.07 91.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.086 0.403 . . . . 0.0 110.574 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 p -62.7 -45.08 94.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -78.0 -23.92 48.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.996 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -68.64 -34.27 75.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.065 0.459 . . . . 0.0 110.142 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -62.31 -26.38 68.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.485 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -71.6 -43.53 66.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -66.96 -22.13 65.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.408 -174.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.414 HG21 HG21 ' A' ' 24' ' ' ILE . 37.4 pt -109.85 -10.43 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -46.9 -68.83 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.23 31.17 8.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.55 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.93 132.85 52.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.675 0.274 . . . . 0.0 110.875 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -84.35 83.23 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.186 0.517 . . . . 0.0 109.653 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.408 HG21 HD11 ' A' ' 24' ' ' ILE . 3.2 m -127.3 133.58 67.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.417 -177.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.26 151.24 50.27 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.66 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 2.8 pt20 -48.77 -43.99 38.34 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 26' ' ' ILE . 24.2 mm-40 -58.39 -40.72 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.082 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 m -62.09 -41.88 98.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.251 0.548 . . . . 0.0 110.153 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.414 HG21 HG21 ' A' ' 14' ' ' ILE . 72.3 mt -69.82 -51.52 39.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.276 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 47.3 mt-10 -62.52 -26.34 68.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.893 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 75.0 mt -69.54 -50.67 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-O 121.027 0.442 . . . . 0.0 109.828 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . . . -65.98 -25.39 67.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.941 -174.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.542 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 48.9 ttt180 -66.79 -29.82 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.89 10.8 27.41 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.542 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.666 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 2.1 t -112.61 -52.29 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.583 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD22 HG23 ' A' ' 55' ' ' VAL . 78.7 mt -82.83 -42.46 17.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.347 0.594 . . . . 0.0 110.855 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 21.2 t -74.45 -25.3 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.243 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.462 ' OD2' ' HG3' ' A' ' 36' ' ' PRO . 37.0 t70 -96.67 -14.82 21.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.73 30.82 2.91 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.926 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 39.0 tttm 65.19 55.02 1.18 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 168.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.666 ' HD2' ' HA ' ' A' ' 30' ' ' VAL . 86.5 Cg_endo -97.74 57.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.089 2.526 . . . . 0.0 111.365 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -55.39 -46.78 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.56 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.97 90.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -64.86 -47.51 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.729 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 26' ' ' ILE . 28.7 t80 -65.57 -41.17 93.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.937 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.557 ' HB3' HG21 ' A' ' 51' ' ' VAL . . . -58.61 -55.74 31.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.827 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 m -65.98 -26.24 67.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.99 0.424 . . . . 0.0 111.171 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 t -66.97 -47.62 71.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -92.61 -11.64 33.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.368 . . . . 0.0 111.507 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.19 64.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.789 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.417 HD11 HD12 ' A' ' 26' ' ' ILE . 95.9 mt -82.39 157.15 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.81 155.98 23.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.119 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.59 -45.56 70.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.86 94.4 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.243 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.13 93.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.138 0.469 . . . . 0.0 110.651 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 41' ' ' ALA . 69.4 t -63.25 -35.18 71.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.489 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.709 ' HA ' HG13 ' A' ' 55' ' ' VAL . 33.2 m -72.79 -30.01 63.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.41 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.74 -45.92 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.06 79.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 52' ' ' SER . 7.5 p -64.42 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.742 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.15 -46.68 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.26 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -61.31 -53.9 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.073 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.74 -43.11 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.197 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -63.58 -43.77 96.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.627 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -62.59 -37.51 86.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 90.5 t80 -71.47 -49.51 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.47 -32.01 73.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.204 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -78.4 -26.15 46.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 55.7 tttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.196 -174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.801 0.334 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.455 HH11 ' HB ' ' B' ' 77' ' ' VAL . 22.8 mmm180 -92.48 107.32 19.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.65 142.7 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.564 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 m -125.64 120.93 32.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.749 -175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.33 151.57 40.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.757 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 7.3 p -84.3 134.47 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' A' ' 79' ' ' PRO . 21.9 tp -173.31 131.83 0.59 Allowed Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.469 ' HD2' HD13 ' A' ' 78' ' ' LEU . 73.9 Cg_exo -51.36 145.81 26.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.584 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.71 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.924 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -55.77 -42.7 75.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.254 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.45 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.9 mp0 -71.75 -28.42 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.198 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.29 -24.26 64.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -52.55 -47.64 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.972 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 mt -84.42 -30.37 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.267 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -59.79 -38.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.143 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.8 -32.24 70.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.345 . . . . 0.0 110.772 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -77.11 -36.17 55.81 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -70.05 -34.98 73.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.44 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG2' HG13 ' B' ' 77' ' ' VAL . 13.8 tm-20 -62.68 -36.13 81.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 177.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -39.2 77.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.29 -49.29 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.782 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.8 ' HB2' HG11 ' B' ' 77' ' ' VAL . . . -67.56 -29.14 68.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 0.0 110.628 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.06 -34.81 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.393 -174.739 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 4' ' ' ARG . 9.5 ttm180 . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.668 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 30.6 mt -119.92 158.72 26.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.909 0.385 . . . . 0.0 110.632 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.7 p -102.88 170.72 7.81 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.07 -31.56 72.0 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.594 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -62.06 -49.32 76.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.836 0.35 . . . . 0.0 110.752 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.67 -32.67 68.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.467 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 77.7 t80 -63.24 -47.69 81.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.169 0.509 . . . . 0.0 109.958 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -37.29 76.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.781 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.07 -39.43 86.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.85 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.489 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -75.42 -36.07 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.144 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.7 pt -93.01 -10.25 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -36.18 -57.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 113.625 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.47 37.48 3.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.675 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 13' ' ' ALA . 3.2 mm? -116.51 139.19 50.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 111.605 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -85.09 83.63 7.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.698 HG22 HD13 ' B' ' 24' ' ' ILE . 4.7 m -120.58 140.96 43.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.584 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 159.97 39.5 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 114.252 -1.34 . . . . 0.0 111.842 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.69 -33.26 64.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.213 -0.493 . . . . 0.0 112.186 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.81 -48.12 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -32.88 65.34 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.698 HD13 HG22 ' B' ' 19' ' ' VAL . 74.0 mt -68.54 -51.21 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.463 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.36 -29.79 71.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.982 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.435 ' HA ' ' CE1' ' B' ' 40' ' ' PHE . 83.1 mt -71.52 -48.82 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 109.785 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.467 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -63.54 -27.12 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.582 -175.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.596 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 57.0 ttt85 -64.03 -41.85 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.471 176.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.44 5.53 60.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.702 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.691 HG11 ' HB ' ' B' ' 55' ' ' VAL . 1.5 t -113.12 -52.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 120.54 0.209 . . . . 0.0 111.172 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.416 HD21 HG22 ' B' ' 55' ' ' VAL . 72.5 mt -84.64 -50.52 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.118 0.485 . . . . 0.0 110.778 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.668 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.2 t -69.37 -26.87 32.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.966 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -89.16 -15.95 32.55 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.34 -172.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.416 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . 111.25 25.78 4.87 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.801 -1.19 . . . . 0.0 113.609 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.572 ' N ' ' HD3' ' B' ' 36' ' ' PRO . 53.7 tttm 67.08 56.19 0.82 Allowed Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 123.783 0.833 . . . . 0.0 112.938 172.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' B' ' 35' ' ' LYS . 61.3 Cg_endo -99.62 53.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.806 . . . . 0.0 111.153 172.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -55.18 -43.79 74.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.235 -173.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.276 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -69.56 -43.49 72.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.952 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 21.6 t80 -65.77 -41.71 91.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.352 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.34 -55.45 33.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.122 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -68.69 -35.37 77.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.796 0.331 . . . . 0.0 111.287 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -62.03 -47.52 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.939 -175.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.94 -6.69 38.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.74 33.32 34.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.99 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -98.35 153.28 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.847 0.356 . . . . 0.0 110.243 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -73.88 154.43 39.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.454 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.68 -44.74 96.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.11 91.63 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.681 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.91 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.691 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.71 -41.98 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.438 ' HA ' HG12 ' B' ' 55' ' ' VAL . 16.1 m -72.07 -25.18 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.04 -45.95 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.96 94.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.622 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.691 ' HB ' HG11 ' B' ' 30' ' ' VAL . 6.9 p -63.85 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.989 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -65.35 -42.37 92.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -61.87 -54.07 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.02 -40.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -63.6 -43.01 98.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.919 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.56 84.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.892 0.377 . . . . 0.0 110.414 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.91 82.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -71.14 -50.62 31.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.503 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.08 -40.74 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.601 -175.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.107 0.48 . . . . 0.0 110.915 -176.449 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.508 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 89.5 mtt-85 -92.69 112.39 24.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 m -85.35 127.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -121.02 119.23 31.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.98 169.31 24.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.926 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.8 HG11 ' HB2' ' A' ' 93' ' ' ALA . 14.5 p -88.78 137.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -165.64 132.81 2.23 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -172.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.96 137.9 61.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.181 2.587 . . . . 0.0 112.794 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 0.2 OUTLIER -62.42 -29.66 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.307 -169.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -63.66 -49.49 72.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.683 0.277 . . . . 0.0 110.918 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.05 -29.51 64.23 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' B' ' 80' ' ' GLU . . . -66.1 -24.68 66.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.419 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -53.07 -50.6 64.05 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.396 0.617 . . . . 0.0 109.692 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -70.74 -32.35 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.931 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.12 -42.3 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.733 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -70.21 -23.29 62.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -77.08 -37.94 53.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.555 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 26.3 m0 -68.2 -20.12 64.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.634 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.757 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 8.1 tm-20 -61.86 -43.11 99.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -28.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.409 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . 0.555 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 13.5 t70 -67.84 -48.38 66.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.603 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . 0.42 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.017 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.64 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 1.7 mpp_? . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.0 tp -103.1 147.64 26.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -173.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -94.1 156.01 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 119.613 -0.232 . . . . 0.0 111.055 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -50.93 -45.28 60.48 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.3 t -60.28 -53.51 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.592 0.234 . . . . 0.0 110.851 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -61.34 -39.5 90.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.225 0.536 . . . . 0.0 109.954 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.3 t80 -59.32 -48.26 82.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.046 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -68.87 -41.83 77.83 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.68 -38.56 87.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.141 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.54 74.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 10' ' ' PHE . 31.1 pt -72.34 -29.14 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.857 0.361 . . . . 0.0 111.757 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.58 102.14 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.297 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.48 -20.11 5.56 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.486 -176.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.97 132.48 46.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.62 84.4 5.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 0.0 109.776 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.5 m -120.9 143.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.736 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.93 145.07 47.57 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.122 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 64.0 tt0 -54.27 -39.95 67.35 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.505 0.322 . . . . 0.0 111.187 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.611 ' O ' HG13 ' A' ' 26' ' ' ILE . 69.0 mt-30 -60.37 -42.5 95.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.313 -0.155 . . . . 0.0 110.898 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -59.4 -41.41 89.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.479 0.657 . . . . 0.0 109.929 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.57 -47.71 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.765 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 18.2 mm-40 -60.44 -31.26 70.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.622 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.645 HG23 ' HA ' ' A' ' 51' ' ' VAL . 81.4 mt -67.81 -50.89 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -65.64 -26.79 67.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.84 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.508 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 51.6 ttt85 -58.73 -28.6 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.742 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -107.02 -42.73 1.49 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.675 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.83 -28.23 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 C-N-CA 123.005 0.522 . . . . 0.0 111.76 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD22 HG22 ' A' ' 55' ' ' VAL . 37.9 mt -110.72 -33.58 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 12.0 t -97.58 -29.5 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 36.4 t70 -92.95 -8.73 42.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.108 0.48 . . . . 0.0 111.347 -171.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.519 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 112.64 17.54 7.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.881 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 tttm 68.0 70.25 0.44 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 166.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.75 -15.27 13.57 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.137 2.558 . . . . 0.0 112.079 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 60.32 -113.02 0.57 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.07 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -28.46 67.49 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -169.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.22 -34.73 72.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.419 . . . . 0.0 110.719 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 34.3 t80 -68.8 -40.96 79.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.861 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.78 ' HB1' HG22 ' A' ' 51' ' ' VAL . . . -60.96 -53.53 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -59.43 -35.26 73.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.218 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -67.92 -52.07 40.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.395 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.81 -9.83 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.73 64.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.837 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.4 mt -78.34 157.65 29.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.6 p -84.7 154.87 22.2 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.689 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.249 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -45.0 94.53 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.781 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.9 81.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.532 0.206 . . . . 0.0 110.81 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.78 HG22 ' HB1' ' A' ' 41' ' ' ALA . 55.8 t -57.51 -44.13 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.627 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 m -71.84 -26.87 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.162 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -71.26 -41.38 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.125 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.86 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.957 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.674 HG22 HD22 ' A' ' 31' ' ' LEU . 5.4 p -61.63 -42.42 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -66.25 -47.62 73.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.616 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -60.41 -56.46 21.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.099 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.62 -43.45 93.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.668 -175.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -63.69 -43.72 95.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.426 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.28 68.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.196 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.17 71.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -69.76 -40.08 76.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.805 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -59.49 -40.14 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.805 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.33 -35.01 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.5 tttp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.145 -173.01 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.473 ' HG2' HG23 ' B' ' 77' ' ' VAL . 31.7 mtm180 -108.27 105.79 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' B' ' 83' ' ' ALA . 31.5 m -96.14 126.66 48.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.552 0.691 . . . . 0.0 112.004 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -103.21 114.71 29.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.254 173.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -124.5 159.88 29.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.746 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.668 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 45.0 t -78.21 112.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.554 ' HB2' HG22 ' B' ' 74' ' ' VAL . 75.2 mt -155.63 127.6 3.89 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.76 140.62 46.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.818 2.345 . . . . 0.0 112.204 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.69 -29.88 29.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.23 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -59.29 -32.64 70.22 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -72.94 -27.16 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.691 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -58.49 -23.87 59.02 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.384 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.11 -48.27 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.297 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.72 -31.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.616 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.527 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 76.3 t -56.8 -47.35 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.151 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.53 ' HA ' ' HB3' ' A' ' 90' ' ' GLU . 29.6 ttp180 -67.19 -21.09 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.202 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.98 -39.09 72.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.172 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.402 ' CE3' ' HA ' ' A' ' 86' ' ' VAL . 10.3 m0 -75.11 -36.06 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.765 175.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.53 ' HB3' ' HA ' ' A' ' 87' ' ' ARG . 32.6 tt0 -58.23 -47.53 83.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.115 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.83 71.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.655 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -70.27 -40.69 74.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.27 -36.79 74.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.487 ' HD2' ' O ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -71.89 -30.47 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.857 179.526 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.456 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.312 0.577 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.783 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 19.0 tp -125.44 158.64 33.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.432 -172.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.4 p -96.61 157.61 15.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.596 ' HG3' HG12 ' B' ' 32' ' ' VAL . 44.5 mt-10 -67.02 -21.09 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -67.53 -44.97 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.154 0.502 . . . . 0.0 110.057 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.497 ' HB3' ' CE1' ' B' ' 62' ' ' PHE . 17.1 mm-40 -77.76 -31.85 52.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.977 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.451 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 51.7 t80 -56.6 -45.65 81.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.268 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.78 -44.29 86.12 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.592 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.68 -41.85 98.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -61.01 -41.69 97.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.476 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 34.5 pt -84.51 -28.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.73 106.92 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.363 0.601 . . . . 0.0 111.0 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.35 -17.06 7.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.58 159.04 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.043 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.0 86.66 2.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.545 HG22 HD12 ' B' ' 24' ' ' ILE . 8.8 m -120.2 131.98 71.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.441 0.639 . . . . 0.0 111.227 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.69 139.95 37.79 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.516 177.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.526 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 63.7 tt0 -62.89 -23.22 67.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 -178.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.86 -50.78 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.387 . . . . 0.0 110.134 175.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.41 69.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.545 HD12 HG22 ' B' ' 19' ' ' VAL . 68.7 mt -61.28 -44.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.431 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.58 -28.14 69.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.708 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 68.2 mt -68.48 -50.94 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.413 ' CB ' ' HE2' ' B' ' 10' ' ' PHE . . . -67.27 -28.0 67.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.529 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -62.31 -37.48 85.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.41 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -106.84 -0.62 36.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.415 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.594 ' HB ' ' O ' ' B' ' 26' ' ' ILE . 2.3 t -112.31 -52.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.809 -0.23 . . . . 0.0 110.873 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.421 ' CD2' HG21 ' B' ' 55' ' ' VAL . 18.6 mt -78.95 -34.33 44.48 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 122.123 -0.36 . . . . 0.0 111.574 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.596 HG12 ' HG3' ' B' ' 7' ' ' GLU . 21.8 t -95.79 -14.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.913 0.387 . . . . 0.0 112.02 -174.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.0 t70 -108.91 10.47 26.4 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.198 0.523 . . . . 0.0 112.319 -170.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 110.14 -3.97 30.04 Favored Glycine 0 C--N 1.323 -0.159 0 C-N-CA 119.648 -1.263 . . . . 0.0 113.845 173.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.514 ' HZ3' ' NE2' ' B' ' 37' ' ' GLN . 62.0 tttm 69.73 63.37 0.53 Allowed Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 123.02 0.528 . . . . 0.0 111.95 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.488 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 81.2 Cg_endo -83.39 -36.16 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.233 1.955 . . . . 0.0 112.255 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.514 ' NE2' ' HZ3' ' B' ' 35' ' ' LYS . 43.3 mt-30 68.2 -72.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.785 0.834 . . . . 0.0 112.863 172.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.67 89.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 9.3 p -64.38 -40.77 96.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.316 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 27.5 t80 -67.1 -41.74 85.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.763 ' HB3' HG23 ' B' ' 51' ' ' VAL . . . -59.0 -45.52 90.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.804 177.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -70.45 -31.65 68.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -67.81 -52.89 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.451 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.25 -1.61 55.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.22 45.15 32.19 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.548 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 87.4 mt -99.48 159.39 15.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.164 0.507 . . . . 0.0 110.718 -176.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 3.2 m -77.58 155.05 31.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.873 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.33 -40.74 87.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.87 78.31 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.288 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.85 91.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 111.238 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.763 HG23 ' HB3' ' B' ' 41' ' ' ALA . 75.8 t -63.65 -47.03 93.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.622 ' HA ' HG12 ' B' ' 55' ' ' VAL . 59.3 m -66.18 -28.48 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.608 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 35.5 tt0 -65.13 -43.38 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.867 0.365 . . . . 0.0 110.301 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -40.61 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.676 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' B' ' 52' ' ' SER . 7.1 p -66.71 -39.87 84.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -66.15 -44.56 83.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.749 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.1 OUTLIER -64.52 -57.3 9.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.961 -174.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.57 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.404 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.783 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 48.0 t-105 -67.13 -42.97 83.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.547 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.32 75.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.64 81.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.506 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' B' ' 9' ' ' GLN . 70.2 t80 -65.42 -38.92 91.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.979 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.66 -39.64 77.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 110.146 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.395 0.617 . . . . 0.0 110.297 177.598 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.557 ' HG2' HG23 ' A' ' 77' ' ' VAL . 77.8 mtm180 -103.91 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.554 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.3 m -87.99 143.06 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.138 0.494 . . . . 0.0 111.211 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.0 m -103.96 128.35 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.854 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.427 ' HA ' ' OE2' ' A' ' 90' ' ' GLU . . . -136.8 139.92 42.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.508 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.2 t -77.95 121.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' B' ' 79' ' ' PRO . 45.6 tp -169.61 126.7 0.79 Allowed Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.529 ' HD2' HD11 ' B' ' 78' ' ' LEU . 53.1 Cg_exo -56.56 146.54 74.9 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.928 2.419 . . . . 0.0 112.225 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . 0.711 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -60.23 -19.9 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.876 -172.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -56.07 -58.64 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -73.54 -30.79 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.711 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -63.02 -23.51 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.413 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -52.46 -46.9 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.428 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mt -75.65 -33.15 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.491 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 60.6 t -63.28 -32.31 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 87' ' ' ARG . 19.2 ttt180 -62.81 -36.33 82.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.187 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.14 -42.9 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.216 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.491 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 22.3 m0 -64.83 -31.49 72.74 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.668 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 34.1 tt0 -61.63 -50.51 72.27 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 110.255 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.12 73.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.97 -44.82 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.065 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 179.419 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.695 ' HE ' ' HA3' ' A' ' 34' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.889 0.376 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.721 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 4.2 tp -125.92 150.57 47.86 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.444 -175.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 165.58 14.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.64 -27.54 68.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.794 0.331 . . . . 0.0 111.553 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -51.99 66.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.721 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 12.1 mt-30 -78.19 -22.83 48.03 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 14' ' ' ILE . 6.5 t80 -63.95 -44.13 93.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -67.91 -31.34 71.05 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.04 -37.11 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 62' ' ' PHE . . . -68.33 -46.19 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.757 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 10' ' ' PHE . 30.3 pt -75.63 -41.36 41.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.912 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 44.46 -106.2 0.1 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.937 0.895 . . . . 0.0 112.711 175.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -126.83 30.64 4.13 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -67.16 152.07 46.41 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.801 0.441 . . . . 0.0 110.726 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 84.39 7.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.856 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.414 HG13 ' HG2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -137.99 141.4 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.56 146.11 43.26 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.779 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.49 ' HA ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -65.72 -21.02 66.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.81 -44.51 89.66 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.6 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -35.69 77.76 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 177.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 21' ' ' GLN . 67.2 mt -64.87 -39.78 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.979 0.418 . . . . 0.0 110.467 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.21 -26.08 64.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.565 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 23' ' ' THR . 53.0 mt -68.04 -50.32 59.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.7 66.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.587 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.8 ttm180 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.626 175.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.15 -16.2 33.44 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.576 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 1.1 t -96.89 -46.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.763 0.316 . . . . 0.0 110.71 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 tp -95.98 -46.46 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.551 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.1 t -69.32 -45.58 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.67 -33.65 46.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.695 ' HA3' ' HE ' ' A' ' 4' ' ' ARG . . . 87.02 51.13 3.46 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.101 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -109.96 148.94 39.29 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.195 . . . . 0.0 110.998 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.32 140.04 80.58 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 111.905 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.63 -32.41 67.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.025 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.45 98.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.601 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.474 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -33.39 75.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.223 -175.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HA ' HG23 ' A' ' 51' ' ' VAL . . . -62.76 -55.7 24.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -71.06 -26.44 63.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -71.94 -36.6 69.96 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -95.4 -7.05 39.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.691 0.281 . . . . 0.0 111.461 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.67 70.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.884 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.553 HD22 HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -91.5 169.96 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 p -83.5 155.44 23.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.64 -27.61 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.624 0.249 . . . . 0.0 110.494 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 -42.02 72.35 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.861 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.22 74.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 41' ' ' ALA . 55.7 t -69.72 -42.03 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -72.11 -22.41 61.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -70.38 -34.31 72.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.744 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 23' ' ' THR . . . -71.47 -44.16 65.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.677 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -49.65 68.19 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.996 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HG2' HG13 ' A' ' 19' ' ' VAL . 7.7 tpt85 -64.42 -49.24 72.3 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.56 -44.41 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.251 0.344 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -61.06 -47.3 86.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.441 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.47 71.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.27 77.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.511 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.593 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . 23.9 t80 -66.45 -40.33 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.608 176.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.69 -34.34 71.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.57 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.42 -40.56 85.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.992 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.956 0.408 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -127.62 125.24 39.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.866 HG22 ' HB2' ' B' ' 78' ' ' LEU . 10.3 m -86.15 133.26 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.21 0.529 . . . . 0.0 111.107 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.78 112.9 13.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.317 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.21 159.34 42.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.983 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -82.12 109.04 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.683 ' HB2' HG22 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -160.34 144.9 10.75 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -177.772 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.429 ' HA ' ' HB1' ' B' ' 72' ' ' ALA . 30.8 Cg_endo -64.01 155.45 64.46 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.431 2.087 . . . . 0.0 112.956 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -19.82 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.652 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.2 86.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.176 0.513 . . . . 0.0 110.227 174.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -26.75 61.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.312 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.42 -23.08 62.35 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.829 0.451 . . . . 0.0 112.213 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -52.68 -47.08 67.43 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.478 0.486 . . . . 0.0 110.489 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.497 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.91 -27.75 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.072 -178.393 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.02 -36.97 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.692 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -30.59 67.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 110.732 176.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -35.97 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 175.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -75.26 -22.12 58.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.941 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.701 ' HB2' ' HB1' ' B' ' 76' ' ' ALA . 0.4 OUTLIER -65.89 -43.86 87.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.167 0.508 . . . . 0.0 109.821 176.298 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.03 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.828 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.0 -31.52 44.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.577 ' HB2' ' HD3' ' B' ' 79' ' ' PRO . . . -70.52 -39.75 73.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 175.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -24.91 64.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.926 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.548 -179.133 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.698 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' B' ' 31' ' ' LEU . 3.6 tp -121.08 156.96 31.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.59 164.08 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.526 ' HG3' HG11 ' B' ' 32' ' ' VAL . 4.0 mp0 -66.49 -29.34 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.644 0.259 . . . . 0.0 110.91 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.91 86.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.501 ' HB3' ' HG ' ' B' ' 5' ' ' LEU . 1.5 mp0 -78.31 -25.78 46.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.015 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.702 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 67.2 t80 -64.55 -47.27 79.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 174.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -26.66 65.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.024 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.56 -38.75 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.677 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.45 -45.94 64.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.492 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 pt -78.14 -37.54 22.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.525 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.409 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.5 OUTLIER 39.52 -111.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.275 1.03 . . . . 0.0 112.819 178.254 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -119.67 35.94 3.66 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.87 166.82 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -93.78 84.73 4.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.15 0.5 . . . . 0.0 110.21 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.27 132.39 71.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.016 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.85 136.37 41.09 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.113 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.404 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 2.4 tt0 -67.62 -18.11 64.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.32 -46.79 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.626 ' HA ' HD13 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.13 -32.89 74.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.921 176.352 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.404 ' HB ' ' HA ' ' B' ' 21' ' ' GLN . 90.2 mt -64.67 -37.03 79.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.434 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.73 -30.04 63.84 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.636 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' B' ' 23' ' ' THR . 18.9 mt -71.43 -49.85 44.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.702 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -66.27 -19.52 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.595 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.498 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.2 ttm-85 -62.04 -29.7 70.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.107 176.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.67 -38.17 1.94 Allowed Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.018 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' HB ' ' B' ' 55' ' ' VAL . 2.4 t -73.68 -41.27 55.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.825 0.45 . . . . 0.0 111.358 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.579 HD12 ' HE3' ' B' ' 59' ' ' TRP . 1.3 tt -94.24 -45.96 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.461 -176.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.526 HG11 ' HG3' ' B' ' 7' ' ' GLU . 88.4 t -71.32 -54.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.391 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.45 -20.41 36.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.116 0.484 . . . . 0.0 110.391 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.698 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 78.23 48.02 7.84 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.667 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.07 138.98 27.23 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.703 -0.249 . . . . 0.0 110.849 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.563 ' HG2' ' HG1' ' B' ' 39' ' ' THR . 14.6 Cg_endo -59.24 134.31 58.29 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.248 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -71.74 -27.59 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.79 -172.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.398 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.563 ' HG1' ' HG2' ' B' ' 36' ' ' PRO . 0.2 OUTLIER -72.27 -41.89 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.41 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -33.52 75.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.547 -177.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' B' ' 51' ' ' VAL . . . -63.9 -50.47 68.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.255 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -31.53 68.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.8 m -71.76 -39.83 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.419 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.69 -22.02 28.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.85 24.17 42.88 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.93 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.486 HD21 HD12 ' B' ' 26' ' ' ILE . 1.5 mp -101.87 170.73 7.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.1 155.51 34.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 110.603 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.16 -35.9 78.71 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.365 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.5 75.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.525 ' HA ' HG22 ' B' ' 26' ' ' ILE . 76.4 t -68.8 -40.66 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 52.0 m -73.85 -21.51 60.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.29 72.09 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' B' ' 23' ' ' THR . . . -67.32 -46.86 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.685 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.455 ' HB ' ' CG1' ' B' ' 30' ' ' VAL . 9.9 p -66.99 -36.63 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -39.54 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.887 178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.06 10.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 79.3 t -66.85 -37.67 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.687 0.28 . . . . 0.0 110.803 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.579 ' HE3' HD12 ' B' ' 31' ' ' LEU . 23.6 t-105 -63.03 -41.07 99.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 175.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.64 70.85 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.371 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 -38.07 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.43 -38.33 77.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.823 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.13 -37.96 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.126 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.816 177.387 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 79' ' ' PRO . . . . . . . . 0 CA--C 1.517 -0.323 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 118.96 28.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.981 0.419 . . . . 0.0 110.385 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 78' ' ' LEU . 16.5 m -86.38 135.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.695 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -132.5 124.58 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -152.31 168.1 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.085 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.67 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 12.4 t -86.55 109.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.866 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -157.01 142.26 12.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.419 -179.126 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 93' ' ' ALA . 23.5 Cg_exo -65.39 155.96 65.9 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.666 2.244 . . . . 0.0 112.802 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 0.6 OUTLIER -70.09 -18.75 63.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.225 -176.814 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -62.68 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.218 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -72.67 -27.96 62.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.86 176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.452 ' HA ' HG22 ' B' ' 86' ' ' VAL . . . -63.76 -22.07 66.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.138 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.45 -44.77 65.72 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.199 173.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.49 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.89 -31.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.211 -178.028 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' B' ' 83' ' ' ALA . 13.6 t -68.47 -34.52 66.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.912 0.387 . . . . 0.0 110.983 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtm105 -70.01 -27.46 64.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -35.31 65.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 174.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -72.79 -18.04 61.52 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.417 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.44 -46.33 80.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.372 0.606 . . . . 0.0 111.291 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.59 -29.44 65.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.147 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -26.19 57.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.511 174.729 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.616 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 66.7 mtt180 . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 121.087 0.47 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tp -117.72 148.93 41.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.58 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.93 162.78 18.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -61.71 -32.23 72.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.213 0.321 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -36.75 73.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -78.01 -36.42 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.672 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.533 ' HE1' ' HB2' ' A' ' 27' ' ' ALA . 76.2 t80 -66.34 -45.63 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.83 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -67.64 -26.27 66.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.4 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -32.77 68.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.75 -47.36 26.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.446 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.88 -8.77 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 1.7 tm0? -68.55 -34.15 75.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.83 7.98 76.66 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.85 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -120.2 158.2 27.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.353 -176.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.85 85.28 2.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.225 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.51 169.57 11.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.517 177.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.68 141.94 48.13 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.617 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -25.73 66.66 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -176.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -66.4 -42.85 87.21 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.664 HG21 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -68.44 -37.05 79.88 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.52 -41.85 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.906 0.384 . . . . 0.0 110.414 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -66.82 -25.62 66.53 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 23' ' ' THR . 48.5 mt -66.48 -50.77 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.533 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -70.38 -20.06 62.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.363 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 5.6 ttp180 -64.72 -29.82 70.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.101 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . -108.13 -22.79 7.01 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.184 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.57 -42.65 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.842 0.353 . . . . 0.0 111.009 -176.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 31' ' ' LEU . 64.8 mt -95.24 -47.47 6.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.518 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 44.2 t -64.5 -43.35 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 120.77 0.319 . . . . 0.0 111.589 -177.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.15 -18.09 29.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.018 0.437 . . . . 0.0 110.496 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.616 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 74.81 46.17 18.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.93 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 0.4 OUTLIER -99.91 149.93 36.4 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.483 -0.358 . . . . 0.0 110.72 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.29 144.13 85.29 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.711 2.274 . . . . 0.0 112.206 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.835 ' HG2' HG21 ' A' ' 55' ' ' VAL . 2.1 mp0 -72.99 -29.59 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.475 -175.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.34 84.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.416 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.87 -46.37 89.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -33.77 72.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.791 -173.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.562 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -67.08 -52.69 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.553 -176.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -26.11 59.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.148 -176.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.0 m -73.72 -41.27 62.79 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -84.34 -18.55 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.94 0.4 . . . . 0.0 111.18 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.99 19.22 56.44 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.403 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 26' ' ' ILE . 1.3 mp -89.66 176.23 6.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.0 154.95 24.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.25 81.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.618 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -68.65 -26.41 74.47 Favored Glycine 0 N--CA 1.45 -0.408 0 O-C-N 123.885 0.741 . . . . 0.0 113.396 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.79 59.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.878 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 41' ' ' ALA . 44.0 t -71.79 -41.44 70.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.662 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 p -69.32 -28.54 66.34 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.749 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 2.1 tm0? -65.73 -38.71 89.9 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.851 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 23' ' ' THR . . . -64.83 -35.32 80.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.835 HG21 ' HG2' ' A' ' 37' ' ' GLN . 10.7 t -59.92 -52.32 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -35.09 79.5 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.198 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -57.77 -52.57 64.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.879 0.472 . . . . 0.0 111.668 -177.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.436 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.4 t -78.21 -35.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.779 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.412 ' CE3' HD21 ' A' ' 31' ' ' LEU . 15.9 t-105 -65.48 -41.13 93.64 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.77 75.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.62 0.248 . . . . 0.0 111.073 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.605 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.42 -41.4 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.348 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.48 -31.26 71.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.685 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -33.46 65.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.19 0.519 . . . . 0.0 110.303 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.688 177.284 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.204 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.526 ' HG2' HG23 ' B' ' 77' ' ' VAL . 17.1 mtm180 -82.82 105.95 14.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' B' ' 78' ' ' LEU . 33.2 m -92.39 140.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.243 0.544 . . . . 0.0 111.161 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.91 126.45 47.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.94 44.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.034 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -79.05 110.14 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.805 ' HB2' HG21 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -150.32 142.59 15.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' B' ' 93' ' ' ALA . 15.1 Cg_exo -67.96 160.86 46.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.471 2.114 . . . . 0.0 112.625 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.568 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 2.3 pm0 -71.73 -20.25 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -44.0 91.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.042 0.449 . . . . 0.0 109.936 172.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.499 ' HA ' HD11 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -71.85 -26.6 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.996 177.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' A' ' 80' ' ' GLU . . . -61.11 -23.14 65.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.125 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -54.62 -46.89 73.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.257 0.551 . . . . 0.0 110.249 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -81.16 -30.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.802 -178.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.482 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -66.01 -33.86 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -63.23 -38.08 89.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.74 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.19 -32.99 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.708 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -69.36 -26.86 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.147 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' HG3' ' HB3' ' B' ' 76' ' ' ALA . 1.8 tm-20 -63.57 -43.91 95.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.01 72.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.007 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.22 -38.41 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.801 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' CB ' ' HG ' ' B' ' 78' ' ' LEU . . . -64.99 -38.13 89.96 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.585 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -71.3 -36.33 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.261 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.608 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.623 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tp -137.69 164.83 27.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.56 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.7 p -95.4 165.38 12.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -32.18 73.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 111.093 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.68 80.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -75.16 -31.46 61.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.668 ' HE1' ' HB1' ' B' ' 27' ' ' ALA . 75.5 t80 -62.62 -47.68 82.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 177.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -68.98 -26.61 65.12 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.762 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -33.01 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.87 -39.48 61.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.83 8.26 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -58.88 2.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.138 0.975 . . . . 0.0 113.351 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.84 20.15 29.57 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -95.19 92.11 6.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.256 0.551 . . . . 0.0 110.602 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.75 84.45 5.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.95 0.881 . . . . 0.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.402 ' H ' HG22 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -121.03 -163.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.005 177.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 130.49 23.9 Favored Glycine 0 C--N 1.316 -0.54 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.561 ' HA ' HD11 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -73.07 -20.35 60.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.172 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -36.02 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.496 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.572 ' HA ' HD11 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -68.63 -35.69 77.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 174.114 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.561 HD11 ' HA ' ' B' ' 21' ' ' GLN . 58.2 mt -67.68 -35.33 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.996 0.427 . . . . 0.0 109.939 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.21 -27.19 67.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.213 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.572 HD11 ' HA ' ' B' ' 23' ' ' THR . 51.8 mt -65.76 -49.97 73.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.668 ' HB1' ' HE1' ' B' ' 10' ' ' PHE . . . -67.62 -23.3 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.717 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.589 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 8.8 ttt180 -66.37 -30.01 70.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.214 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.34 -38.99 2.91 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.017 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.752 HG12 HG21 ' B' ' 55' ' ' VAL . 1.3 t -70.0 -43.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 122.948 0.499 . . . . 0.0 111.551 -175.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' B' ' 31' ' ' LEU . 83.8 mt -98.0 -47.26 5.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.637 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 57.8 t -67.12 -48.92 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.432 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.46 -27.23 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 110.283 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.623 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 84.22 43.87 6.87 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.714 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.522 ' HE3' ' HD2' ' B' ' 36' ' ' PRO . 15.5 mmmt -93.43 145.27 29.68 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.287 . . . . 0.0 111.67 -175.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' HE3' ' B' ' 35' ' ' LYS . 10.6 Cg_endo -55.83 137.04 77.42 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.515 2.81 . . . . 0.0 112.734 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.629 ' HG3' HG22 ' B' ' 30' ' ' VAL . 2.7 mp0 -76.82 -26.94 54.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.993 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.23 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.564 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -37.0 82.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.473 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -66.35 -34.06 77.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.147 -177.593 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.657 ' HA ' HG23 ' B' ' 51' ' ' VAL . . . -63.63 -44.7 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.18 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -34.47 75.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.718 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.0 m -70.33 -44.64 67.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.83 -17.21 38.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 111.644 -175.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.73 14.3 73.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.616 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.69 161.91 14.7 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.68 156.34 36.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -58.44 -38.43 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.279 0.362 . . . . 0.0 111.175 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.03 94.21 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.788 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.48 71.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.212 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' B' ' 41' ' ' ALA . 40.7 t -69.11 -46.01 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.341 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -70.21 -18.61 63.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.546 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -36.74 77.48 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.357 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.465 ' HB3' HG21 ' B' ' 23' ' ' THR . . . -68.87 -40.6 79.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.752 HG21 HG12 ' B' ' 30' ' ' VAL . 12.8 t -57.28 -51.6 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.247 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.431 ' O ' ' HB1' ' B' ' 60' ' ' ALA . 3.1 m170 -65.73 -43.23 89.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.165 -177.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.43 ' HD2' ' HA ' ' B' ' 57' ' ' ARG . 0.5 OUTLIER -68.1 -45.63 73.19 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.45 -40.31 79.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 110.468 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -65.86 -36.92 84.8 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.923 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' B' ' 56' ' ' HIS . . . -65.05 -35.67 81.92 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.262 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.71 77.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.034 0.445 . . . . 0.0 110.675 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.07 -44.24 69.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 178.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.96 -32.0 68.74 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.448 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 110.421 175.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.45 111.92 17.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.164 0.507 . . . . 0.0 109.892 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.805 HG21 ' HB2' ' A' ' 78' ' ' LEU . 34.2 m -86.22 131.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.345 0.593 . . . . 0.0 110.265 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.42 115.13 21.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.278 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -140.04 150.37 44.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.526 HG23 ' HG2' ' A' ' 73' ' ' ARG . 15.7 t -78.78 110.4 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.575 ' HB2' HG23 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -138.08 149.65 64.52 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.926 -176.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -67.38 154.44 73.89 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.184 1.923 . . . . 0.0 111.419 172.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -22.2 65.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.81 -175.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -63.13 -49.06 75.89 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.313 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' B' ' 85' ' ' ILE . 6.0 mp0 -72.48 -28.72 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.08 177.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.474 ' HB3' HG12 ' A' ' 74' ' ' VAL . . . -64.99 -23.51 67.24 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.098 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -55.81 -48.34 75.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.161 0.505 . . . . 0.0 110.108 173.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' B' ' 82' ' ' GLN . 0.2 OUTLIER -77.11 -26.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.823 -178.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 53.4 t -68.06 -35.81 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -36.71 83.9 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.814 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.56 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.525 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -73.34 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.381 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -43.62 98.43 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.275 0.559 . . . . 0.0 109.923 172.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.98 61.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.453 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.52 -40.36 92.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.862 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--O 1.234 0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.467 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.443 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 121.222 0.534 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.8 tp -92.82 155.85 17.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.413 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 p -91.53 153.21 19.93 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.15 -27.08 68.48 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.487 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -65.74 -45.54 82.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.81 0.338 . . . . 0.0 110.556 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -78.32 -23.37 47.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.48 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE2' HG22 ' A' ' 24' ' ' ILE . 64.0 t80 -58.32 -46.7 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.306 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -46.45 64.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.791 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.77 -46.47 89.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.058 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 62' ' ' PHE . . . -59.51 -48.9 79.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.036 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.9 pt -82.48 -14.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.973 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -52.4 -48.54 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.053 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.46 6.22 82.35 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.311 -174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' ' 13' ' ' ALA . 3.8 mm? -115.1 147.33 40.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 111.581 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.85 84.65 6.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.644 HG22 HD12 ' A' ' 24' ' ' ILE . 4.0 m -115.7 134.12 59.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.073 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.46 35.11 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.467 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 36.7 mt-30 -61.28 -25.97 67.46 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' ILE . 34.7 tt0 -59.43 -51.37 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 174.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -63.67 -37.83 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.114 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 19' ' ' VAL . 70.6 mt -60.69 -48.03 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.318 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.36 -26.76 68.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.527 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.547 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 87.1 mt -69.67 -50.99 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.44 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.798 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.745 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 37.6 ttt180 -63.29 -27.97 69.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.965 0.412 . . . . 0.0 110.926 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -109.22 -40.45 1.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.766 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 t -71.89 -40.94 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 C-N-CA 122.779 0.432 . . . . 0.0 111.406 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.702 HD11 HG22 ' A' ' 55' ' ' VAL . 54.9 tp -100.88 -32.77 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.838 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.745 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 78.4 t -82.69 -46.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 111.328 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.1 t70 -84.91 -22.18 29.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.43 0.633 . . . . 0.0 109.574 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 83.38 28.7 35.44 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.006 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 66.4 mttm -76.2 137.78 68.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.903 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -57.05 135.82 73.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.67 2.246 . . . . 0.0 111.135 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -57.46 -31.93 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.642 -169.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.57 87.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.406 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -49.19 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.784 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 1.9 t80 -72.74 -34.01 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.037 -176.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.72 86.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.083 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 -27.4 65.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.165 0.507 . . . . 0.0 111.086 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -78.39 -55.96 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.552 ' HB3' HD13 ' A' ' 46' ' ' LEU . 11.1 mp -79.68 -27.44 40.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.37 -0.38 59.93 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.213 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 44' ' ' LEU . 8.6 mp -77.97 149.48 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 p -71.31 159.69 34.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.725 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -54.84 -39.27 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.542 0.21 . . . . 0.0 110.705 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.86 -40.79 97.25 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.58 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.37 80.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.169 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.94 -36.83 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.614 ' HA ' HG13 ' A' ' 55' ' ' VAL . 39.1 m -72.14 -23.45 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.019 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.76 -38.86 92.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 0.0 109.856 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.8 -48.81 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.421 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 31' ' ' LEU . 7.1 p -65.79 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.693 -177.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -66.3 -49.67 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -63.56 -51.9 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.414 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.06 -45.59 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 110.84 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.663 ' CE3' HD12 ' A' ' 31' ' ' LEU . 72.3 t-105 -61.79 -49.57 75.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.24 84.79 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . 56.5 t80 -76.99 -41.17 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 110.187 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.72 -37.91 83.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -28.38 68.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.478 . . . . 0.0 110.638 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.163 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -128.77 131.26 47.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.59 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.846 HG12 ' HB3' ' B' ' 83' ' ' ALA . 31.9 m -88.56 141.46 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.258 0.552 . . . . 0.0 111.042 -177.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -136.89 130.83 32.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.74 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -156.54 150.65 25.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.523 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 2.7 m -78.68 127.28 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 174.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.696 HD21 ' HD2' ' A' ' 79' ' ' PRO . 1.7 tt -168.1 129.97 1.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.696 ' HD2' HD21 ' A' ' 78' ' ' LEU . 73.1 Cg_exo -37.93 133.32 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.972 3.114 . . . . 0.0 114.585 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.46 -27.88 66.49 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.039 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.18 -37.94 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -72.45 -25.81 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.329 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' HB3' HG12 ' B' ' 74' ' ' VAL . . . -53.75 -23.44 11.86 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 52.6 t80 -52.08 -49.13 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.242 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.29 -26.73 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.013 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.536 HG13 ' HB ' ' B' ' 74' ' ' VAL . 64.8 t -66.65 -39.96 85.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 52.7 mtt180 -68.04 -23.44 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.175 0.512 . . . . 0.0 110.492 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 84' ' ' TYR . 74.6 mmtt -80.79 -44.69 18.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.202 177.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -62.16 -38.08 87.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.8 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.3 tt0 -59.08 -46.65 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.312 0.577 . . . . 0.0 110.354 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.11 66.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.562 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -74.57 -40.56 61.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.661 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.18 77.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 110.665 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 109.959 177.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 27.0 ttpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.416 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' B' ' 4' ' ' ARG . 3.6 ppt_? . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 121.43 0.633 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.705 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 14.6 tp -105.68 160.83 14.9 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.804 -170.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -83.89 153.52 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 35.3 tt0 -66.93 -23.7 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.654 -174.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.5 m -64.0 -49.44 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.445 ' NE2' HD11 ' B' ' 5' ' ' LEU . 21.0 mt-30 -75.44 -28.95 59.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.035 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.514 ' O ' HG12 ' B' ' 14' ' ' ILE . 86.9 t80 -59.26 -46.29 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.58 173.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -45.13 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.455 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.26 -42.91 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.671 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.37 55.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.563 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 10' ' ' PHE . 32.0 pt -69.96 -18.58 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -56.82 -30.35 63.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.153 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.01 35.43 4.94 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' B' ' 61' ' ' ALA . 2.5 mm? -129.54 143.92 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 110.765 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -114.97 83.92 1.99 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.21 146.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.45 -172.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.03 142.8 43.9 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.52 175.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.94 -29.56 4.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.16 -40.73 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.361 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.534 HG21 ' HA ' ' B' ' 54' ' ' ALA . 6.8 m -64.48 -44.46 90.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.554 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.39 -41.92 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.04 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.29 -40.66 91.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.607 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' B' ' 51' ' ' VAL . 74.4 mt -71.56 -48.15 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.52 . . . . 0.0 110.132 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -62.7 -27.77 69.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.671 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.71 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 67.2 ttt180 -61.76 -27.52 68.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.958 0.409 . . . . 0.0 111.025 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.05 -40.69 1.51 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.842 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.97 -38.32 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 120.984 0.421 . . . . 0.0 111.208 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.485 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.6 tt -98.02 -40.61 8.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.71 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 84.5 t -79.19 -51.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 32.0 t70 -81.94 -24.16 35.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.57 0.7 . . . . 0.0 110.189 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' B' ' 4' ' ' ARG . . . 78.31 41.33 17.31 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.982 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -78.58 148.17 72.82 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.609 0.242 . . . . 0.0 110.538 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.823 ' HB2' ' HG1' ' B' ' 39' ' ' THR . 32.1 Cg_exo -58.51 118.1 4.92 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.387 2.058 . . . . 0.0 110.573 172.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -53.46 -40.74 65.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.672 -170.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 111.151 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.823 ' HG1' ' HB2' ' B' ' 36' ' ' PRO . 4.9 m -66.96 -44.37 80.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . 0.403 ' HE2' HG12 ' B' ' 26' ' ' ILE . 29.0 t80 -65.47 -40.59 93.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.415 0.626 . . . . 0.0 109.431 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.56 89.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.097 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.3 m -70.38 -32.37 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.919 0.39 . . . . 0.0 111.233 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -66.39 -52.27 48.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' B' ' 46' ' ' LEU . 9.2 mp -83.82 -33.58 24.88 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.49 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.05 -3.68 33.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.221 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' B' ' 44' ' ' LEU . 8.0 mp -71.82 147.23 47.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 156.32 39.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -53.17 -43.56 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.575 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -54.31 -38.59 62.41 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.707 -0.678 . . . . 0.0 113.181 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.09 -40.47 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.926 0.363 . . . . 0.0 111.062 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.478 ' HA ' HD11 ' B' ' 26' ' ' ILE . 70.9 t -68.35 -50.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m -68.93 -21.99 64.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 49.4 tt0 -66.54 -39.12 88.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.534 ' HA ' HG21 ' B' ' 23' ' ' THR . . . -65.81 -44.64 85.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.577 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.05 -38.68 82.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.21 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -66.29 -47.34 73.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.263 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' B' ' 57' ' ' ARG . 9.7 tpt180 -57.23 -50.52 72.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.345 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.0 -46.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.423 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.705 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 65.2 t-105 -62.26 -49.39 75.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.218 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.34 74.71 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.656 ' HB3' HD22 ' B' ' 17' ' ' LEU . . . -60.68 -46.29 90.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.937 0.398 . . . . 0.0 111.013 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.09 -46.14 88.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.857 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.07 -38.78 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.276 -177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 120.645 0.26 . . . . 0.0 111.475 -176.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 35.8 ptt180 -107.02 130.71 54.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.3 0.572 . . . . 0.0 110.231 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.536 ' HB ' HG13 ' A' ' 86' ' ' VAL . 17.0 m -85.39 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.474 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.7 m -125.49 130.6 52.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.154 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.63 152.39 36.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.8 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.5 t -78.74 109.95 13.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.576 ' HB2' HG21 ' A' ' 74' ' ' VAL . 41.7 mt -153.25 139.87 12.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.392 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.8 Cg_exo -63.35 155.37 62.47 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.425 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -53.73 -30.0 42.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.817 -173.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' B' ' 84' ' ' TYR . 21.9 m-70 -58.35 -33.1 69.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.513 ' O ' HG23 ' B' ' 86' ' ' VAL . 28.4 mm-40 -72.83 -46.72 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.6 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.846 ' HB3' HG12 ' A' ' 74' ' ' VAL . . . -60.63 -27.05 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' B' ' 81' ' ' HIS . 54.9 t80 -51.39 -43.35 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 mt -85.07 -37.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.587 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 83.4 t -58.54 -36.52 59.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.567 -175.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' B' ' 83' ' ' ALA . 50.6 mtt180 -60.57 -31.29 70.42 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -78.03 -26.04 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.564 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -77.41 -38.44 49.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 109.692 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.69 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 39.5 tt0 -60.28 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.952 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.82 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.79 -36.98 56.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.404 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 178.495 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.766 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.018 0.437 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 7.4 tp -134.53 166.76 22.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.827 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 163.58 12.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 172.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.75 -23.18 67.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.648 0.261 . . . . 0.0 111.466 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -45.58 82.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.083 0.468 . . . . 0.0 110.956 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.519 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 11.1 mp0 -78.47 -24.5 45.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.435 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CE2' HG12 ' A' ' 58' ' ' VAL . 16.2 t80 -62.66 -53.7 50.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.68 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -64.95 -27.18 68.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.133 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.01 -32.31 65.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.976 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.772 ' HB3' ' HB2' ' A' ' 61' ' ' ALA . . . -75.11 -43.31 53.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.776 -177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -79.44 2.96 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.91 -52.75 64.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.98 0.512 . . . . 0.0 112.284 -176.547 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.15 42.41 1.95 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.054 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.12 144.91 50.92 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.855 0.359 . . . . 0.0 110.765 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.22 83.53 4.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 173.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.37 126.51 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.907 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.11 169.95 55.04 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.744 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.092 0.557 . . . . 0.0 112.472 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.12 -47.12 75.17 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.296 -0.161 . . . . 0.0 110.576 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -61.13 -37.83 84.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.531 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.494 HG21 ' HE1' ' A' ' 10' ' ' PHE . 73.7 mt -70.31 -47.51 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.34 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.89 -31.77 61.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.19 -45.15 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB1' ' HE2' ' A' ' 10' ' ' PHE . . . -65.18 -19.03 65.78 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.653 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -29.79 69.07 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.184 -0.323 . . . . 0.0 111.062 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.67 -0.51 27.54 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.671 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.504 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 2.0 t -112.84 -46.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.758 HD23 HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -90.29 -49.06 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -178.229 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.48 -33.44 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.064 0.459 . . . . 0.0 110.773 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.62 -19.1 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.766 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.71 46.05 78.89 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.047 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -118.15 148.8 44.41 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.373 0.13 . . . . 0.0 110.959 -176.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -61.84 139.08 78.02 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.188 2.592 . . . . 0.0 113.383 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -23.24 60.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.927 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.13 97.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.441 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.46 71.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.153 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -39.46 87.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.182 -175.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 51' ' ' VAL . . . -65.88 -50.27 65.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.552 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -22.77 61.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 m -76.57 -41.62 45.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.067 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -22.6 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.742 -176.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.7 20.33 34.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.541 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.61 171.53 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.237 -0.481 . . . . 0.0 109.816 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.54 156.29 20.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.096 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -43.99 97.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 110.825 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.22 -27.8 73.23 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 113.017 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.35 46.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 41' ' ' ALA . 90.7 t -71.62 -39.69 70.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.861 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -74.04 -16.76 61.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.66 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -69.73 -33.41 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 176.356 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.496 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.9 -47.3 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.042 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.758 HG21 HD23 ' A' ' 31' ' ' LEU . 7.7 p -65.95 -36.73 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.156 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -65.34 -50.11 66.83 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.605 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -69.37 -48.86 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.157 -173.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG12 ' CE2' ' A' ' 10' ' ' PHE . 71.2 t -70.47 -41.66 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.583 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -64.84 -43.64 92.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.307 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.25 72.35 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.111 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.772 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -63.99 -41.1 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.105 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -73.29 -37.17 66.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.849 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.83 -35.63 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.97 -30.35 50.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptp . . . . . 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.203 -179.844 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 5.9 ptp85 -123.9 124.3 42.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.6 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.767 HG21 ' HB3' ' B' ' 78' ' ' LEU . 15.3 m -92.01 115.55 31.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.741 0.781 . . . . 0.0 111.171 -177.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.12 116.37 22.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.074 177.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.87 ' HB2' ' HG3' ' B' ' 90' ' ' GLU . . . -122.42 155.92 35.09 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.754 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.4 t -108.87 108.75 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' B' ' 93' ' ' ALA . 0.4 OUTLIER -164.08 130.0 2.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.926 -170.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.742 ' HA ' ' HB2' ' B' ' 72' ' ' ALA . 37.1 Cg_exo -63.17 157.49 49.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.113 2.542 . . . . 0.0 113.043 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -19.55 64.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.185 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.88 40.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.822 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -73.42 -27.56 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.825 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.91 -20.83 65.56 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.596 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -52.27 -44.58 65.02 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.374 0.421 . . . . 0.0 111.073 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.472 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -83.73 -34.01 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 -37.35 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.88 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.03 -32.97 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.641 0.377 . . . . 0.0 111.384 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -73.74 -45.42 52.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.558 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -65.45 -41.81 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.591 ' HA ' ' HB1' ' A' ' 93' ' ' ALA . 22.9 mm-40 -77.49 -22.91 50.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.146 -176.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.29 76.86 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.362 0.601 . . . . 0.0 109.417 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.25 -29.72 60.28 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.321 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 90' ' ' GLU . . . -70.62 -35.92 73.21 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 176.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -38.54 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.176 174.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.103 178.105 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.604 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.9 mtt-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.444 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 11.1 tp -117.19 161.77 18.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.29 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -93.76 163.56 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.872 0.368 . . . . 0.0 110.62 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -45.66 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -73.66 -31.28 63.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.129 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.635 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 87.9 t80 -65.3 -46.98 78.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.07 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -32.5 72.78 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.93 -42.52 97.34 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.27 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.921 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.438 HD11 HG23 ' B' ' 24' ' ' ILE . 3.1 pt -76.3 -22.3 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -173.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.31 -6.43 59.24 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.816 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.07 6.04 58.06 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 171.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.421 ' HA ' HD11 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -124.2 163.26 21.95 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.775 0.43 . . . . 0.0 111.028 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.98 84.62 2.28 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.23 161.9 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.892 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.45 146.76 43.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.28 -1.327 . . . . 0.0 113.524 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.88 -19.22 61.33 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.88 -46.49 68.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -37.5 80.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.3 177.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.438 HG23 HD11 ' B' ' 14' ' ' ILE . 81.5 mt -69.4 -41.18 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.684 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.13 -33.1 75.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.639 HD11 HD22 ' B' ' 46' ' ' LEU . 39.2 mt -69.7 -50.93 45.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.635 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -67.19 -21.32 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.677 -178.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -30.05 71.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.582 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.63 -36.02 2.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.631 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.623 HG13 HE21 ' B' ' 37' ' ' GLN . 0.9 OUTLIER -66.04 -41.12 89.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.965 0.506 . . . . 0.0 111.454 -176.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.75 HD21 HG23 ' B' ' 55' ' ' VAL . 28.9 mt -97.6 -52.0 3.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.473 -177.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.85 -39.34 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -93.46 -14.38 26.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.753 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.604 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 73.99 48.38 16.15 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.0 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 138.04 21.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.698 -0.251 . . . . 0.0 110.931 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.6 139.88 91.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.962 2.441 . . . . 0.0 112.266 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.623 HE21 HG13 ' B' ' 30' ' ' VAL . 15.9 mp0 -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.483 -174.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.75 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.657 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.8 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.407 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -37.94 81.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.558 ' HA ' HG23 ' B' ' 51' ' ' VAL . . . -63.56 -47.0 83.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.284 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -65.45 -41.65 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.738 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -74.48 -29.71 61.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -83.42 -27.51 29.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 26.7 32.77 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.639 HD22 HD11 ' B' ' 26' ' ' ILE . 1.8 mp -103.86 170.63 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.34 154.49 30.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 48' ' ' ARG . 4.2 ttp180 -64.41 -42.76 95.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.114 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.22 -26.97 73.39 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.76 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.07 -39.83 65.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 110.708 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.558 HG23 ' HA ' ' B' ' 41' ' ' ALA . 44.8 t -71.28 -39.72 73.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.47 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 m -73.41 -20.64 60.68 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.446 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.7 73.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.447 173.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.15 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.972 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.75 HG23 HD21 ' B' ' 31' ' ' LEU . 3.3 p -66.37 -39.05 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.123 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -69.04 -48.38 63.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.22 -38.57 77.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.434 0.159 . . . . 0.0 111.315 -175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TRP . . . . . 0.476 ' CE3' HD22 ' B' ' 31' ' ' LEU . 53.1 t-105 -67.22 -42.15 84.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.784 0.326 . . . . 0.0 110.949 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.81 82.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.3 -39.69 81.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.75 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.16 -49.53 75.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.53 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.87 -43.29 93.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.773 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.696 0.284 . . . . 0.0 111.591 -178.406 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.742 ' HB2' ' HA ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.79 115.36 10.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -96.95 138.6 21.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.729 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.59 113.83 26.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.138 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.453 ' HB2' ' HG3' ' A' ' 90' ' ' GLU . . . -112.0 173.22 6.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -124.38 109.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.366 -179.038 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.767 ' HB3' HG21 ' A' ' 74' ' ' VAL . 2.3 tp -163.1 140.88 6.15 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.13 -171.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.81 158.38 38.16 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.17 2.58 . . . . 0.0 113.241 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -18.72 64.17 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.201 -176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -60.46 -55.27 35.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.48 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -72.11 -26.46 62.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.51 62.42 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -52.44 -46.86 66.59 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.42 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.66 -32.62 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.698 -178.442 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.82 -42.0 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.944 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -40.36 61.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.107 0.563 . . . . 0.0 111.841 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.39 -33.15 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -79.82 -32.96 40.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.702 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.87 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 18.7 mm-40 -77.34 -24.02 50.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.144 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.78 -22.54 37.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.16 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' B' ' 90' ' ' GLU . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.707 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ttt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.868 0.366 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.5 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 28.5 mmtt -107.17 -151.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.804 176.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -133.14 163.84 28.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.461 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.636 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 3.8 mtp-105 -94.25 170.68 9.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.056 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 5.9 tp -136.49 123.76 21.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.585 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 160.68 32.42 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -46.72 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.882 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -73.66 -27.66 61.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.586 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.516 ' CE2' ' HD2' ' A' ' 28' ' ' ARG . 24.1 t80 -65.63 -46.35 79.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.416 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 123.508 0.505 . . . . 0.0 111.547 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -39.83 94.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.803 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -49.74 16.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.16 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.536 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 14.7 pt -74.1 -10.55 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.05 -27.24 63.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.664 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 20.8 42.41 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.825 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -108.6 119.64 40.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.42 82.8 3.72 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.89 155.45 10.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.212 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.95 156.05 50.02 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.624 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -64.29 -18.09 64.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.425 -0.387 . . . . 0.0 112.038 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -62.73 -47.52 83.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.287 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.48 HG23 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -69.91 -33.68 72.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.282 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.19 -39.4 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.2 -25.68 65.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.667 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 31.5 mm -62.5 -50.71 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.48 -19.84 62.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.686 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.59 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -66.63 -28.94 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.407 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.36 -25.9 5.62 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.127 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.605 HG13 HG23 ' A' ' 55' ' ' VAL . 1.3 t -80.58 -45.62 21.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 31' ' ' LEU . 30.9 mt -94.11 -45.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -176.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 84.2 t -64.74 -41.5 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.302 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.45 -14.3 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.1 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.636 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.76 48.77 59.57 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.763 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -108.09 153.21 41.91 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.589 -0.305 . . . . 0.0 111.423 -172.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.74 131.91 46.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.421 2.747 . . . . 0.0 112.864 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.513 ' HG2' HG22 ' A' ' 55' ' ' VAL . 7.4 mp0 -80.94 -27.35 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.421 -173.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.36 85.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.558 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -39.28 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.146 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -33.89 75.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.619 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -59.3 -46.37 88.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.189 177.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -71.35 -27.12 63.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.803 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 m -77.26 -32.82 55.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.669 0.271 . . . . 0.0 111.578 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -99.55 -11.93 20.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 16.25 68.57 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.972 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -88.69 160.22 17.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 120.959 0.409 . . . . 0.0 110.722 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.38 157.27 34.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.318 171.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -63.06 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -26.14 72.73 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.982 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.27 -40.66 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.995 0.397 . . . . 0.0 110.842 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 41' ' ' ALA . 54.2 t -65.48 -49.61 77.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.485 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.409 ' HA ' HG21 ' A' ' 55' ' ' VAL . 4.6 m -64.42 -24.73 67.73 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.699 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.519 HE21 ' HB3' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -68.04 -38.43 82.51 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 175.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.48 ' HB2' HG23 ' A' ' 23' ' ' THR . . . -72.37 -35.77 68.56 Favored 'General case' 0 CA--C 1.519 -0.215 0 O-C-N 123.159 0.287 . . . . 0.0 110.766 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG23 HG13 ' A' ' 30' ' ' VAL . 35.8 t -59.83 -53.88 42.32 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.644 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.3 t-80 -67.17 -33.48 75.5 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.501 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -57.26 -51.03 71.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.136 0.425 . . . . 0.0 111.359 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.513 ' HA ' HD21 ' A' ' 17' ' ' LEU . 94.2 t -73.76 -39.38 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.511 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -66.47 -33.0 74.72 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.809 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . . . -69.14 -30.94 69.3 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.452 0.301 . . . . 0.0 111.785 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.67 82.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 109.873 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.87 -37.13 70.23 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.778 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 60.3 mt-10 -61.22 -46.79 88.98 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.636 0.774 . . . . 0.0 111.207 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.99 -33.51 73.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.414 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -83.21 -36.01 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.856 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -111.55 -73.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 0.0 111.904 -169.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -153.02 108.61 2.66 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.286 -174.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.778 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 6.3 Cg_exo -79.3 -169.71 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.523 2.815 . . . . 0.0 113.791 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -77.31 170.75 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.653 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.52 -15.99 47.99 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.043 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.461 ' HD1' HE21 ' A' ' 97' ' ' GLN . 9.9 m-30 -98.78 122.34 41.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.04 142.61 35.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.8 119.62 34.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.011 0.434 . . . . 0.0 110.432 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.749 HG23 ' HB2' ' B' ' 78' ' ' LEU . 28.9 m -93.07 143.72 10.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 120.5 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.164 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -133.71 149.01 51.5 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.154 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.622 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 61.2 t -78.8 115.69 21.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' HB2' HG22 ' B' ' 74' ' ' VAL . 14.2 mt -157.84 142.72 12.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.43 166.35 23.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.525 2.15 . . . . 0.0 112.847 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -23.69 64.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.301 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.09 -38.79 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -72.88 -31.28 64.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.764 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -62.54 -23.06 66.77 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.134 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.55 -45.7 66.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.222 0.534 . . . . 0.0 110.507 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -32.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 73.9 t -62.96 -31.62 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -39.76 89.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.13 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -76.02 -29.42 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -72.21 -33.8 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.4 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.825 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 19.1 tt0 -64.86 -43.48 92.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.392 176.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.44 67.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.959 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -42.07 63.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.26 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.442 ' HB2' ' HD3' ' B' ' 79' ' ' PRO . . . -68.24 -33.65 74.78 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 174.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.541 ' HG3' ' HD2' ' A' ' 100' ' ' LYS . 6.1 ttpt -83.5 -11.23 57.7 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.851 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -35.32 30.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 109.941 176.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.461 HE21 ' HD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -94.0 -13.85 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.374 -178.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -117.06 118.41 32.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.83 89.49 6.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.507 0.67 . . . . 0.0 111.094 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.541 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -126.54 149.84 49.16 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.707 177.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.699 -177.209 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.674 ' HG3' HE22 ' B' ' 37' ' ' GLN . 4.5 ttm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -96.58 -170.4 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -73.28 168.23 19.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 111.321 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.476 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 0.0 OUTLIER -120.91 164.3 16.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -151.86 176.1 11.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.102 -175.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.224 -173.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.595 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.3 tt0 -64.85 -24.36 67.52 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.209 0.318 . . . . 0.0 111.614 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -46.54 89.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -78.87 -25.88 43.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.727 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.595 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 69.1 t80 -65.16 -38.56 90.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.339 175.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -36.3 83.48 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.847 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.56 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.18 -49.16 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.907 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.0 pt -74.78 -9.83 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -175.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.67 -6.84 57.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.455 0.645 . . . . 0.0 111.168 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.3 39.34 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.76 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.2 OUTLIER -130.53 126.28 36.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 111.35 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.517 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -100.99 83.89 2.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.194 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 m -129.37 166.14 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.76 -175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 154.59 50.55 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.133 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -60.11 -26.75 66.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.581 . . . . 0.0 111.962 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.32 -48.22 82.69 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.071 0.232 . . . . 0.0 110.908 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -41.01 96.12 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.643 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.438 HG21 ' HZ ' ' B' ' 10' ' ' PHE . 31.8 mt -69.83 -43.61 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.43 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.04 -29.27 66.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.428 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 27.8 mm -65.55 -49.08 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.539 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -63.51 -29.54 70.8 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.809 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.651 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 4.3 ttt180 -61.15 -28.76 69.35 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.089 0.556 . . . . 0.0 112.134 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.83 -29.33 4.69 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.015 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.674 HG23 ' HG3' ' B' ' 37' ' ' GLN . 0.9 OUTLIER -74.92 -49.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 122.424 0.289 . . . . 0.0 111.638 -173.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.605 HD13 HG12 ' B' ' 58' ' ' VAL . 1.0 OUTLIER -115.54 1.94 13.71 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.651 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.7 t -97.46 -52.26 9.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 O-C-N 121.829 -0.544 . . . . 0.0 109.843 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -83.61 -37.3 23.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.925 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 94.16 49.68 2.39 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.29 -177.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -99.54 144.8 28.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.702 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.3 135.49 70.52 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.103 2.535 . . . . 0.0 112.742 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.674 HE22 ' HG3' ' B' ' 1' ' ' MET . 1.7 mp0 -76.64 -30.39 56.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.256 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.75 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -27.1 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.341 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -35.7 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.84 82.33 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.975 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -35.33 63.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.743 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -68.27 -50.91 50.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.1 43.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.034 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.9 23.96 50.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.679 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -87.64 164.15 16.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.87 156.23 32.31 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -39.98 91.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.45 -28.92 72.96 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.94 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.16 57.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.861 0.33 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.98 -43.64 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 m -65.8 -29.8 70.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.581 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -69.46 -33.99 73.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.058 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.96 83.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.03 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.641 HG23 HG13 ' B' ' 30' ' ' VAL . 2.7 t -62.84 -49.35 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.923 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' B' ' 60' ' ' ALA . 1.4 t-80 -64.86 -44.04 91.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.295 -175.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -48.89 67.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.605 HG12 HD13 ' B' ' 31' ' ' LEU . 93.6 t -72.54 -43.59 62.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.296 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -65.21 -42.67 93.27 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.124 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' B' ' 56' ' ' HIS . . . -63.74 -28.91 70.2 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.79 90.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.061 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -68.84 -35.35 76.85 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.159 0.504 . . . . 0.0 110.183 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.921 ' HB3' ' HA ' ' B' ' 68' ' ' PRO . 36.8 mt-10 -67.82 -28.54 67.66 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.601 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.07 -22.62 66.99 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -97.99 2.84 49.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.482 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -132.73 -79.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.309 0.575 . . . . 0.0 110.25 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' B' ' 68' ' ' PRO . 2.9 tp -161.44 109.66 1.22 Allowed Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.724 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . 0.921 ' HA ' ' HB3' ' B' ' 63' ' ' GLU . 3.9 Cg_exo -80.64 173.15 12.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.123 2.549 . . . . 0.0 113.535 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.97 125.76 24.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.534 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.25 53.97 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.686 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.36 126.76 52.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.79 125.45 53.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.314 0.578 . . . . 0.0 111.308 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -122.51 108.71 13.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 78' ' ' LEU . 35.7 m -84.96 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.75 0.786 . . . . 0.0 111.153 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.22 115.5 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.898 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.53 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . . . -139.59 166.0 25.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.64 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.825 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 46.8 t -78.23 112.35 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.749 ' HB2' HG23 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -149.37 145.27 18.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.643 ' HD2' HD12 ' B' ' 78' ' ' LEU . 45.9 Cg_endo -69.72 170.91 15.43 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.209 1.94 . . . . 0.0 112.804 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -20.08 64.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.54 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.116 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.125 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.602 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -65.2 -23.91 67.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.079 -177.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -55.09 -46.47 75.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.263 0.554 . . . . 0.0 110.415 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.81 -26.37 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.697 -177.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.602 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 3.5 t -62.94 -36.62 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -42.16 76.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -38.9 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.879 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.53 -27.34 66.02 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.221 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.622 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -56.63 -50.57 71.63 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 176.505 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.46 -22.62 43.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.733 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -36.89 59.2 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.2 65.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.22 89.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.023 173.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -68.07 -23.64 64.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.511 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -29.06 64.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.611 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -94.54 -20.15 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.669 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.527 ' HB3' ' HG2' ' B' ' 100' ' ' LYS . 27.9 mt-10 -85.9 147.66 26.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.796 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.47 34.36 4.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.572 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.527 ' HG2' ' HB3' ' B' ' 98' ' ' GLU . 3.5 pttt -79.29 108.2 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 101' ' ' ARG . 17.2 mtm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.598 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -88.8 85.23 6.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -87.93 155.45 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.273 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.651 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 91.9 mtt180 -95.51 156.52 16.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 -174.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 21.5 tp -119.22 155.75 31.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.782 -175.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.0 p -99.06 162.52 13.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.228 -0.295 . . . . 0.0 111.493 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -51.32 -47.81 62.56 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.245 0.545 . . . . 0.0 110.55 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -56.5 -54.52 44.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.733 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.87 -23.43 61.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.334 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.23 -45.62 87.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.111 0.481 . . . . 0.0 110.07 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.69 -38.79 92.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.219 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.55 -27.78 63.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.693 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.5 21.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.487 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 15' ' ' GLN . 28.9 pt -70.39 -45.8 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.416 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' N ' HG13 ' A' ' 14' ' ' ILE . 23.8 tt0 45.56 -90.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.991 0.916 . . . . 0.0 113.021 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.36 22.88 3.5 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.281 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.09 138.4 49.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.326 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.09 83.54 7.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.534 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.91 142.66 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.134 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.69 143.62 38.82 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.324 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -56.34 -23.38 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.068 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 26' ' ' ILE . 2.9 tp-100 -59.3 -51.22 70.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.879 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -28.72 63.37 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.135 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 21' ' ' GLN . 78.7 mt -64.0 -46.76 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.351 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.96 -25.76 65.6 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 22' ' ' GLN . 86.4 mt -66.36 -51.11 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.33 68.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.887 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.671 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 6.9 tmm_? -62.22 -29.28 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.003 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -107.19 -36.67 2.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.798 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 HG13 ' HG3' ' A' ' 37' ' ' GLN . 3.0 t -68.01 -44.45 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 122.935 0.494 . . . . 0.0 111.569 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.765 HD22 HG23 ' A' ' 55' ' ' VAL . 64.5 mt -97.35 -53.55 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.68 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.5 t -62.73 -48.17 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.705 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.585 ' OD1' ' HG3' ' A' ' 35' ' ' LYS . 15.4 t70 -82.95 -36.42 25.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.506 0.669 . . . . 0.0 109.831 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.651 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 88.21 35.35 8.9 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.582 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.585 ' HG3' ' OD1' ' A' ' 33' ' ' ASP . 52.5 mttp -92.16 148.99 37.84 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.835 0.35 . . . . 0.0 111.391 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.47 123.42 11.27 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 112.091 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.53 ' HB3' ' CG1' ' A' ' 51' ' ' VAL . 1.5 mp0 -61.05 -35.58 77.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.78 -172.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.83 68.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.646 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -68.85 -41.54 78.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 110.269 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 44' ' ' LEU . 92.3 m-85 -66.6 -37.24 84.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.954 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.17 -51.52 69.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.975 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -71.58 -46.08 60.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.817 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -73.69 -50.99 18.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 40' ' ' PHE . 8.2 mp -82.16 -15.29 53.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 111.089 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 42.44 6.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.075 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.7 mt -108.18 158.77 17.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -90.93 156.19 18.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 48' ' ' ARG . 2.7 ptm180 -61.3 -34.61 75.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.585 0.231 . . . . 0.0 110.945 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.68 -41.46 89.29 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.831 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.76 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 37' ' ' GLN . 84.5 t -60.64 -45.85 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.813 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.6 m -70.59 -28.09 64.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.627 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.12 -40.65 78.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.53 80.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.765 HG23 HD22 ' A' ' 31' ' ' LEU . 5.9 p -65.1 -38.54 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.503 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -66.94 -50.45 62.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -64.27 -50.73 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.3 -41.89 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.994 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.48 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 28.8 t-105 -67.85 -30.65 70.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.93 -35.77 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.61 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.209 0.528 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -65.69 -35.01 79.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.048 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.11 -47.24 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -35.49 80.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.89 -24.75 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 89.4 m-20 -89.85 -2.56 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.1 tp -114.48 91.35 24.22 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.795 0.331 . . . . 0.0 110.434 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 66' ' ' ASN . 1.2 Cg_endo -84.96 -32.6 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.101 2.534 . . . . 0.0 113.054 -178.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -85.58 84.47 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.353 0.597 . . . . 0.0 110.464 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.05 -13.39 79.36 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.166 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -101.89 123.64 46.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.467 . . . . 0.0 110.376 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.53 138.34 9.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 34.9 ptt180 -86.05 110.94 19.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.628 0.728 . . . . 0.0 109.569 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG23 ' HB2' ' B' ' 78' ' ' LEU . 15.4 m -93.78 114.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.296 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -96.82 130.33 44.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.734 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.14 144.73 31.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.662 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.721 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 11.6 p -82.7 132.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' B' ' 93' ' ' ALA . 68.7 mt -156.68 136.98 8.86 Favored Pre-proline 0 C--N 1.316 -0.87 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.14 139.18 80.34 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.274 1.983 . . . . 0.0 111.6 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -44.64 -44.56 9.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.9 0.75 . . . . 0.0 112.284 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.91 -27.63 63.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.819 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.515 HE22 HD11 ' A' ' 85' ' ' ILE . 25.0 tp60 -73.12 -27.67 61.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 111.186 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' B' ' 74' ' ' VAL . . . -61.75 -23.98 66.52 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.067 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -52.01 -47.6 64.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.419 0.628 . . . . 0.0 110.115 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.515 HD11 HE22 ' A' ' 82' ' ' GLN . 3.4 mt -84.49 -24.78 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.605 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.25 -38.66 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.636 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -63.12 -24.13 67.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.189 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -69.77 -48.37 59.55 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -63.36 -37.42 87.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -57.72 -46.15 84.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.872 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.67 -23.18 49.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.221 0.534 . . . . 0.0 111.068 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -73.88 -33.1 63.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.022 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' B' ' 78' ' ' LEU . . . -66.95 -38.94 87.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -76.78 -21.16 55.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.252 0.549 . . . . 0.0 110.091 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.832 ' HG3' ' HE2' ' A' ' 100' ' ' LYS . 24.4 ttpt -68.23 -36.05 78.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.795 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.31 -10.83 60.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.29 0.566 . . . . 0.0 110.357 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -85.85 -20.5 29.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.2 -176.22 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.611 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -86.59 36.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.187 0.994 . . . . 0.0 109.603 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.832 ' HE2' ' HG3' ' A' ' 95' ' ' LYS . 41.9 mtpt -115.99 105.23 12.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.413 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.428 -175.549 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.48 148.62 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.62 163.15 26.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.796 0.331 . . . . 0.0 110.559 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.53 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 60.8 mtt180 -98.45 143.49 28.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.625 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 19.6 tp -111.79 119.3 38.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -176.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -74.06 157.43 36.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.07 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -50.2 -42.2 50.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.759 0.314 . . . . 0.0 111.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -58.15 -55.07 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.123 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.84 -27.56 65.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.743 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' B' ' 24' ' ' ILE . 64.6 t80 -65.5 -50.08 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.329 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.88 -35.28 80.13 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.659 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -64.22 -37.89 89.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.975 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.36 56.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 31.2 pt -74.84 -38.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.741 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 39.9 -92.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.213 1.005 . . . . 0.0 113.189 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.93 28.61 2.93 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.27 159.42 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.81 0.338 . . . . 0.0 110.569 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.6 84.84 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.55 128.24 60.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.378 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 158.22 46.01 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.454 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.8 -19.2 65.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.427 ' O ' HG13 ' B' ' 26' ' ' ILE . 6.4 tp-100 -65.5 -50.52 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.84 HG21 ' HA ' ' B' ' 54' ' ' ALA . 14.1 m -57.8 -40.86 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.115 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' B' ' 21' ' ' GLN . 75.3 mt -66.62 -50.72 63.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.509 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.69 -33.66 74.33 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.614 HG22 ' HA ' ' B' ' 51' ' ' VAL . 85.0 mt -65.13 -48.18 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.24 -26.79 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.992 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.642 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 45.7 ttm-85 -73.03 -39.43 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.326 . . . . 0.0 110.922 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.76 -13.26 56.99 Favored Glycine 0 CA--C 1.51 -0.23 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.838 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.612 HG13 ' HG3' ' B' ' 37' ' ' GLN . 2.1 t -99.78 -48.97 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.268 -0.466 . . . . 0.0 110.736 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.614 HD22 HG23 ' B' ' 55' ' ' VAL . 95.3 mt -94.82 -52.84 4.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.57 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.642 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 48.1 t -62.9 -39.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.257 0.551 . . . . 0.0 111.347 -177.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -80.35 -21.24 42.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.659 0.742 . . . . 0.0 109.945 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.53 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 67.89 47.46 60.33 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.629 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.45 ' HZ3' ' HB2' ' B' ' 35' ' ' LYS . 3.4 ttmp? -119.06 138.77 26.54 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.343 -0.428 . . . . 0.0 111.007 -173.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.7 123.74 6.19 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.503 2.802 . . . . 0.0 112.003 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.612 ' HG3' HG13 ' B' ' 30' ' ' VAL . 1.8 mp0 -57.5 -38.52 74.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.373 -169.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.2 69.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.431 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.7 m -65.22 -41.14 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 19.4 t80 -70.46 -39.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 109.604 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.898 ' HB3' HG22 ' B' ' 51' ' ' VAL . . . -61.37 -47.62 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.802 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -65.86 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.493 ' HB3' HD12 ' B' ' 44' ' ' LEU . 7.8 t -71.04 -54.77 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.294 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' B' ' 43' ' ' SER . 6.9 mp -89.59 -1.34 57.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.85 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.35 38.32 39.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.32 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 80.1 mt -95.19 158.39 15.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.203 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.2 p -86.61 155.18 20.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -63.22 -31.78 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.681 0.277 . . . . 0.0 110.569 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.71 -36.48 82.76 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.069 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.51 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.269 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.898 HG22 ' HB3' ' B' ' 41' ' ' ALA . 78.3 t -62.79 -41.25 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.454 ' HA ' HG11 ' B' ' 55' ' ' VAL . 42.7 m -68.82 -33.11 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.21 -44.98 96.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.462 . . . . 0.0 110.24 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.84 ' HA ' HG21 ' B' ' 23' ' ' THR . . . -61.91 -49.21 77.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.504 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.614 HG23 HD22 ' B' ' 31' ' ' LEU . 7.1 p -68.93 -38.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.313 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -66.12 -51.49 57.42 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' B' ' 57' ' ' ARG . 9.1 mmt180 -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.12 -45.9 95.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.88 0.372 . . . . 0.0 110.519 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -66.03 -36.76 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.676 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.54 83.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.129 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.46 97.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.075 0.464 . . . . 0.0 109.892 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.09 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.197 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.91 -49.96 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -37.77 82.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -64.13 -29.55 70.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.434 . . . . 0.0 110.415 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . 0.432 ' O ' ' HD3' ' B' ' 68' ' ' PRO . 18.5 m-80 -87.86 21.94 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.227 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 41.4 tp -109.04 90.58 8.04 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' B' ' 66' ' ' ASN . 22.5 Cg_exo -64.98 -63.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.119 2.546 . . . . 0.0 112.562 -175.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.64 95.07 9.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.56 -10.38 70.9 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.609 -173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -116.4 141.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.086 0.443 . . . . 0.0 110.461 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.91 126.99 4.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.473 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 34.5 ptt180 -79.37 104.66 10.14 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.79 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.501 HG13 ' HB1' ' A' ' 83' ' ' ALA . 21.8 m -91.08 124.44 43.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.6 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.3 p -87.91 122.72 31.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.138 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -129.26 173.59 10.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.502 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 93' ' ' ALA . 12.2 p -124.55 135.39 64.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 93' ' ' ALA . 44.0 mt -163.59 160.58 17.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.52 138.05 79.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.112 1.875 . . . . 0.0 111.817 175.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -56.38 -32.71 65.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.191 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -73.59 -21.44 60.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.009 0.433 . . . . 0.0 110.826 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.627 HE22 HD11 ' B' ' 85' ' ' ILE . 26.7 tp60 -72.2 -26.65 62.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.36 59.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.122 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . 0.46 ' HD2' HG12 ' B' ' 85' ' ' ILE . 36.9 t80 -53.83 -46.65 71.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.319 0.581 . . . . 0.0 110.446 176.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.627 HD11 HE22 ' B' ' 82' ' ' GLN . 3.7 mt -84.07 -27.86 7.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.942 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.75 -34.69 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.874 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -58.25 -34.7 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.488 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.02 -47.22 53.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.206 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.413 ' HD1' ' O ' ' B' ' 85' ' ' ILE . 36.7 m95 -62.12 -41.22 98.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.628 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.721 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 37.7 tt0 -59.42 -43.01 93.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.94 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.114 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -37.85 77.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.423 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . 0.486 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -71.68 -36.62 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.231 0.538 . . . . 0.0 110.483 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -68.32 -35.01 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.775 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' B' ' 95' ' ' LYS . 34.4 ttpt -71.1 -17.46 62.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.411 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -69.13 -13.5 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.302 0.572 . . . . 0.0 110.343 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.09 -13.14 42.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.239 176.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.98 157.75 19.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.137 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 3.7 p -84.04 62.88 7.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -136.37 146.1 46.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.767 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.119 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 121.027 0.442 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 127.67 53.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.11 145.7 25.8 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 169.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 163.2 12.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.789 0.328 . . . . 0.0 110.182 -176.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tp -115.18 154.58 28.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 154.65 35.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.455 173.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.55 -25.81 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.705 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.89 60.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.107 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -75.14 -25.3 58.28 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.53 ' HE1' ' HB2' ' A' ' 27' ' ' ALA . 43.2 t80 -65.03 -47.1 78.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 175.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -42.35 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.956 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . . . -67.31 -42.75 83.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.702 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.484 HD12 HG21 ' A' ' 24' ' ' ILE . 2.5 pt -84.76 -8.02 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -33.13 71.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.194 0.521 . . . . 0.0 110.826 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.63 23.49 34.78 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.112 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -130.96 120.25 23.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.041 0.448 . . . . 0.0 110.923 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.09 84.22 6.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.472 0.653 . . . . 0.0 109.765 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.34 163.66 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.785 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 136.34 46.4 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 114.948 -1.023 . . . . 0.0 112.991 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -20.98 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.36 0.264 . . . . 0.0 111.277 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.29 -46.04 88.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.45 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.741 ' HA ' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -71.4 -30.35 66.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.484 HG21 HD12 ' A' ' 14' ' ' ILE . 88.5 mt -66.15 -40.35 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.291 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.01 -27.11 66.28 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.387 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.741 HD13 ' HA ' ' A' ' 23' ' ' THR . 39.7 mt -71.9 -49.79 42.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.269 177.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -64.85 -19.7 66.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.579 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.4 ttt85 -58.43 -29.09 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.16 -45.54 1.0 Allowed Glycine 0 C--O 1.224 -0.484 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.224 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 HG22 ' A' ' 55' ' ' VAL . 30.4 m -75.82 -21.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 117.343 0.572 . . . . 0.0 112.402 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 1.1 tt -108.29 -50.58 3.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.221 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.4 t -68.07 -48.67 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.066 0.46 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.84 -12.39 39.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.25 33.33 77.77 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.63 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -85.7 158.47 56.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.434 0.117 . . . . 0.0 111.153 -173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.19 151.18 86.13 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.009 2.473 . . . . 0.0 113.274 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HA ' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -81.3 -30.3 33.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.118 -176.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.77 84.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.071 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -39.96 80.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -33.75 76.5 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.71 79.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.117 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -28.38 64.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -73.48 -42.62 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -93.91 -22.64 18.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.7 36.17 4.89 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.071 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.09 172.19 7.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.799 0.333 . . . . 0.0 110.608 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 156.23 17.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -59.88 -37.94 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.048 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -29.34 72.61 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.413 0.446 . . . . 0.0 113.19 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.27 -36.12 63.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.101 0.477 . . . . 0.0 110.206 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' A' ' 37' ' ' GLN . 73.0 t -68.89 -42.16 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.015 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.572 ' HA ' HG23 ' A' ' 55' ' ' VAL . 8.0 p -72.39 -22.14 61.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 111.337 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -32.32 70.45 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.96 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.612 HG22 HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -63.89 -44.41 98.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.44 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.54 -45.59 86.48 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.743 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -60.29 -54.14 49.31 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.85 -36.94 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.121 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -63.52 -42.64 98.46 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.402 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -32.03 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.129 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.539 ' HB2' HD21 ' A' ' 17' ' ' LEU . . . -66.55 -41.94 87.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.065 0.459 . . . . 0.0 110.56 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -63.97 -43.47 95.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.673 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.42 -31.5 68.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.32 -38.24 78.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.435 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -80.66 -6.82 58.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.915 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.91 -7.78 56.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 177.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.11 85.5 0.17 Allowed Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 124.353 1.033 . . . . 0.0 111.695 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -71.29 136.97 30.15 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.982 2.455 . . . . 0.0 112.312 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -128.08 138.83 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.455 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.48 42.18 1.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.005 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.49 131.66 55.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.72 165.62 11.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 111.998 -170.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.19 118.14 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.492 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.581 HG21 ' HB2' ' B' ' 78' ' ' LEU . 35.2 m -86.35 133.84 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.992 0.425 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.42 114.91 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.358 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.55 150.98 40.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.82 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.447 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 40.7 t -79.38 118.12 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.701 ' HB2' HG23 ' B' ' 74' ' ' VAL . 3.3 mt -161.29 148.3 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.98 165.11 19.87 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.847 2.365 . . . . 0.0 113.108 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.41 -18.35 63.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.579 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.7 88.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 176.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -26.18 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.285 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.577 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -59.33 -22.84 61.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.89 -46.46 71.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.166 0.508 . . . . 0.0 110.625 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.99 -31.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.583 -178.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 54.9 t -62.86 -37.23 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.924 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 87' ' ' ARG . 2.1 ttt85 -62.61 -36.37 82.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -71.59 -39.93 70.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.746 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -73.26 -30.68 63.6 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -61.42 -42.21 98.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.384 175.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.68 -23.33 45.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.396 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -38.68 31.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.62 58.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.549 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -18.17 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.397 176.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -22.33 62.89 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.166 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -70.3 -25.49 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -23.26 19.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.066 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -167.2 1.75 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.932 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -42.28 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 100' ' ' LYS . 16.9 mmtm 56.84 49.84 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.784 0.677 . . . . 0.0 111.194 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.983 -178.854 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.85 118.59 35.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 110.989 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.529 ' HD3' ' HZ2' ' B' ' 59' ' ' TRP . 0.0 OUTLIER -85.34 110.29 19.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.891 176.216 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.628 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 4.0 mtp-105 -93.3 169.7 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 9.0 tp -117.49 149.42 40.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.31 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 157.62 17.36 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.92 -31.87 72.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -51.35 62.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.45 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.456 ' HG2' ' HE1' ' B' ' 62' ' ' PHE . 7.9 mp0 -72.86 -26.95 61.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.634 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 72.9 t80 -65.93 -47.15 75.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 176.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -31.57 66.42 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.56 -30.7 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.259 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' B' ' 61' ' ' ALA . . . -69.62 -46.79 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.036 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.06 0.36 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.915 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.59 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.509 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.81 37.46 3.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.33 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -132.24 133.14 43.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.628 0.251 . . . . 0.0 110.77 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.13 84.35 6.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.583 0.706 . . . . 0.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.48 142.48 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.695 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 159.56 52.87 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.57 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -66.09 -21.45 66.36 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.084 -0.558 . . . . 0.0 111.869 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.529 HE21 HD13 ' B' ' 26' ' ' ILE . 0.9 OUTLIER -64.66 -44.11 91.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.591 0.234 . . . . 0.0 110.612 176.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.21 -31.76 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.097 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.529 HD13 HE21 ' B' ' 22' ' ' GLN . 56.0 mt -71.94 -50.92 34.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.634 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.96 -23.86 66.68 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.679 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.516 ' HA ' HG21 ' B' ' 32' ' ' VAL . 6.3 ttt180 -60.6 -35.25 75.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.007 175.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.97 1.84 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.771 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.838 HG22 HG21 ' B' ' 55' ' ' VAL . 35.1 m -69.84 -34.11 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' B' ' 31' ' ' LEU . 20.4 mt -96.39 -59.28 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.246 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.516 HG21 ' HA ' ' B' ' 28' ' ' ARG . 6.4 t -66.18 -52.19 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.688 -175.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.559 ' HB3' ' HD2' ' B' ' 35' ' ' LYS . 1.1 t0 -82.61 -17.26 45.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.268 0.556 . . . . 0.0 110.346 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.628 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 74.78 44.61 24.69 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.775 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.559 ' HD2' ' HB3' ' B' ' 33' ' ' ASP . 2.0 mttt -92.61 146.27 32.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.75 149.55 89.51 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.703 2.269 . . . . 0.0 112.827 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -39.84 24.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.473 -170.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.94 90.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.849 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -36.03 78.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.239 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -40.94 98.51 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.91 -55.34 34.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.492 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -68.76 -32.22 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -73.17 -37.23 66.6 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -19.98 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.661 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.52 31.13 8.06 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.048 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.54 168.67 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 110.262 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.01 156.84 19.1 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.847 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.77 84.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.38 -32.12 71.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.992 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.6 64.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.993 0.396 . . . . 0.0 110.79 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.458 ' HA ' HD12 ' B' ' 26' ' ' ILE . 38.7 t -63.43 -47.85 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.033 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -68.24 -26.25 65.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -35.35 75.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.545 0.212 . . . . 0.0 110.684 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.21 81.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.838 HG21 HG22 ' B' ' 30' ' ' VAL . 27.9 t -59.71 -51.07 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.757 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -42.17 92.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.255 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' B' ' 57' ' ' ARG . 16.4 tpp180 -64.09 -50.12 69.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.6 t -71.32 -40.7 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.763 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.529 ' HZ2' ' HD3' ' B' ' 3' ' ' LYS . 25.4 t-105 -65.73 -35.4 80.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.5 84.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.972 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' B' ' 13' ' ' ALA . . . -70.93 -34.09 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.474 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.456 ' HE1' ' HG2' ' B' ' 9' ' ' GLN . 30.0 t80 -62.91 -42.93 99.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.71 -40.55 72.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -40.54 76.97 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.553 -176.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -12.44 60.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 111.388 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 0.38 57.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.409 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.6 96.21 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 124.043 0.839 . . . . 0.0 110.493 -175.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.92 76.43 2.94 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.197 2.598 . . . . 0.0 112.829 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.26 95.4 10.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.66 61.76 0.3 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.48 159.63 29.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.775 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.64 146.2 29.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -127.74 115.58 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.086 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' A' ' 78' ' ' LEU . 27.4 m -85.93 143.84 10.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.98 124.97 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.239 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.493 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -134.5 155.6 50.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.824 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 90' ' ' GLU . 21.8 t -77.91 123.21 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 173.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.581 ' HB2' HG21 ' A' ' 74' ' ' VAL . 17.9 mt -158.96 152.33 18.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.26 170.84 15.06 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.26 1.973 . . . . 0.0 112.724 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -69.33 -19.79 63.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.314 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -47.27 80.13 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.245 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' B' ' 85' ' ' ILE . 37.0 mm-40 -73.3 -31.3 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.111 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.594 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -64.08 -25.37 68.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.006 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -55.53 -48.76 74.17 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.168 0.508 . . . . 0.0 110.565 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 82' ' ' GLN . 0.1 OUTLIER -80.84 -25.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.806 -178.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.594 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 2.8 t -62.28 -39.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.807 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -68.83 -29.44 67.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.834 0.35 . . . . 0.0 111.028 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -42.51 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.241 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -70.22 -32.97 71.08 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.415 ' HG2' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -57.31 -44.83 84.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.084 178.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.02 -32.9 45.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.438 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -33.85 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.11 79.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -16.79 60.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -8.98 58.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.448 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -25.93 65.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.621 0.248 . . . . 0.0 111.632 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -85.34 -23.49 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.122 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.84 164.97 12.7 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.318 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.76 -26.51 9.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.404 177.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 58.66 61.27 2.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.194 0.934 . . . . 0.0 110.802 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 101' ' ' ARG . 10.3 mtt-85 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.08 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 119.822 -0.133 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 tttt 59.63 -138.03 0.72 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 123.522 0.514 . . . . 0.0 109.817 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -112.3 34.63 4.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -84.64 112.15 20.19 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.424 -178.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 12.9 tp -101.82 148.0 25.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.538 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.14 157.53 30.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.554 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -63.01 -39.12 93.81 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.776 -175.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -36.96 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -78.29 -28.89 47.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.642 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 90.4 t80 -63.13 -40.6 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.23 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.62 88.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.273 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.67 -32.86 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.101 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.96 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.939 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.0 -17.51 8.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.32 113.37 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.64 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.6 1.34 62.11 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.245 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.4 mm? -103.76 145.02 30.7 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.683 0.278 . . . . 0.0 110.671 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -82.75 84.03 7.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.68 0.753 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.508 HG13 HG23 ' A' ' 23' ' ' THR . 0.1 OUTLIER -127.44 135.39 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.391 -179.278 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.23 161.75 53.23 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.965 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.49 -32.03 73.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.04 -37.53 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 HG13 ' A' ' 19' ' ' VAL . 5.2 m -59.42 -45.13 92.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.152 0.501 . . . . 0.0 110.729 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -32.59 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -38.82 76.65 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.603 0.24 . . . . 0.0 110.8 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.702 HG12 HD23 ' A' ' 46' ' ' LEU . 37.9 mt -70.02 -50.22 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.642 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -65.58 -19.92 66.11 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.952 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -64.53 -29.64 70.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.985 0.421 . . . . 0.0 111.315 178.008 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.55 -32.15 2.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.818 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.522 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -71.97 -44.29 66.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.811 0.339 . . . . 0.0 111.054 -177.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 55' ' ' VAL . 26.3 mt -94.44 -51.88 4.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.221 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 30.3 t -63.87 -38.68 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -93.26 -10.65 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.791 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 69.78 37.7 76.05 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.215 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -84.54 159.64 58.07 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.269 -0.466 . . . . 0.0 111.671 -172.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.36 144.16 50.04 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.728 2.285 . . . . 0.0 111.292 170.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -72.91 -36.04 67.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.0 -172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.22 93.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -41.18 94.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.914 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -40.7 69.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.057 -176.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.2 -51.79 58.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.674 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -74.19 -27.0 60.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -80.72 -37.7 30.12 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.564 -0.455 . . . . 0.0 112.146 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -19.03 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.535 0.207 . . . . 0.0 111.513 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.78 14.4 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.477 -175.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.702 HD23 HG12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.54 162.82 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.25 154.74 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -68.09 -38.28 82.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.52 0.2 . . . . 0.0 110.663 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.84 -29.25 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.586 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.96 -37.02 59.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.761 0.28 . . . . 0.0 110.951 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 26' ' ' ILE . 52.3 t -69.08 -41.36 81.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.074 0.464 . . . . 0.0 110.266 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -71.87 -22.02 61.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.386 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.84 -39.76 72.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 0.0 110.291 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.72 90.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.932 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.622 HG21 HD23 ' A' ' 31' ' ' LEU . 2.6 p -68.44 -39.39 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.519 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -66.63 -51.31 57.68 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.149 -179.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 2.0 tpt180 -68.55 -48.13 65.07 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.27 -42.67 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 110.98 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.14 -44.91 87.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.252 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 56' ' ' HIS . . . -63.8 -31.41 72.58 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.327 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.65 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.258 0.348 . . . . 0.0 111.023 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -70.35 -44.66 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.93 -35.67 81.9 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -73.26 -32.37 64.66 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -60.08 -45.1 94.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -95.22 5.6 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.562 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -82.87 119.08 73.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.166 177.733 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 2.4 Cg_endo -81.65 74.97 5.09 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.276 2.651 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.14 142.93 35.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.423 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.53 -41.75 1.42 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.51 125.47 48.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.48 132.27 51.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.957 0.408 . . . . 0.0 111.01 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.527 ' HG2' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -83.48 103.58 12.94 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' B' ' 78' ' ' LEU . 29.5 m -92.21 148.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.303 -173.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.543 HG21 ' HD3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -125.74 114.41 18.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.65 178.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' B' ' 90' ' ' GLU . . . -135.03 156.6 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.039 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.789 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 3.1 t -87.1 120.41 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.442 ' HB2' HG21 ' B' ' 74' ' ' VAL . 3.2 mt -152.82 152.04 27.68 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.11 155.0 62.09 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 121.703 1.602 . . . . 0.0 111.168 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.82 -19.2 65.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.14 -51.93 67.9 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -73.03 -40.5 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.898 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.71 65.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.809 -177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -52.27 -44.92 65.21 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.417 0.448 . . . . 0.0 110.737 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.434 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -83.64 -28.48 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 t -68.11 -30.7 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -66.49 -31.5 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.649 0.261 . . . . 0.0 111.275 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.06 -37.5 64.23 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -67.7 -31.56 71.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.84 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 0.9 OUTLIER -64.26 -45.33 88.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.754 176.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.18 -30.37 68.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.991 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.39 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.823 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.556 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -69.91 -38.37 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.455 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -69.0 -33.44 73.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.874 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -24.79 67.71 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.888 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -23.18 64.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.737 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.77 11.44 20.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.14 178.12 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -177.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.87 115.99 7.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.948 0.404 . . . . 0.0 110.783 -177.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -86.75 117.82 25.75 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.643 -173.402 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.811 0.339 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.58 -179.84 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -88.01 56.27 3.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.69 0.757 . . . . 0.0 109.16 171.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.533 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -90.87 126.66 36.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.491 -173.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -110.31 169.54 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.81 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.89 160.48 14.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.722 ' HG2' HG12 ' B' ' 32' ' ' VAL . 2.6 mt-10 -66.27 -23.76 66.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.18 24.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 0.0 110.968 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -25.27 63.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.564 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.684 ' HE1' ' HB2' ' B' ' 27' ' ' ALA . 85.8 t80 -64.39 -50.89 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.46 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.33 75.6 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.511 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -35.65 76.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.165 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.55 -41.97 53.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.965 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.415 HG22 HG23 ' B' ' 58' ' ' VAL . 22.6 pt -76.66 -14.83 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.55 111.58 9.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.402 . . . . 0.0 110.237 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.06 -5.06 41.84 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -101.78 138.91 38.14 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -86.71 84.51 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.22 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.33 135.74 62.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.978 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.18 160.34 53.88 Favored Glycine 0 N--CA 1.439 -1.149 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.237 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.03 -33.25 67.01 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.255 0.622 . . . . 0.0 112.259 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -60.93 -50.85 71.73 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.304 0.377 . . . . 0.0 111.157 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.463 ' HA ' HD11 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -63.41 -36.81 84.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 111.448 -179.19 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.513 HG21 ' HZ ' ' B' ' 10' ' ' PHE . 89.7 mt -69.33 -34.99 65.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.683 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -36.62 69.65 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.474 HD13 ' HG ' ' B' ' 46' ' ' LEU . 26.6 mt -65.29 -50.51 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.211 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.684 ' HB2' ' HE1' ' B' ' 10' ' ' PHE . . . -63.14 -25.28 68.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.869 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.663 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.6 mtp180 -65.81 -28.55 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.502 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.566 ' HA3' ' HE2' ' B' ' 40' ' ' PHE . . . -104.57 -42.59 1.83 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.089 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.24 -40.56 87.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 123.068 0.547 . . . . 0.0 111.073 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' B' ' 4' ' ' ARG . 42.1 mt -96.86 -54.96 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.339 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.722 HG12 ' HG2' ' B' ' 7' ' ' GLU . 56.7 t -68.83 -37.47 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.593 ' HB3' ' HG3' ' B' ' 35' ' ' LYS . 3.6 t0 -94.15 -9.89 34.97 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.691 -0.631 . . . . 0.0 110.553 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.415 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 72.65 30.96 63.3 Favored Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.265 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.593 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 16.9 mttm -86.57 154.2 56.18 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.627 -0.287 . . . . 0.0 110.982 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.63 152.77 70.04 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.834 2.356 . . . . 0.0 112.706 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.18 -36.48 77.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.489 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.03 85.69 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.266 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.31 90.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.753 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.566 ' HE2' ' HA3' ' B' ' 29' ' ' GLY . 0.2 OUTLIER -69.34 -33.27 72.86 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.671 -175.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.29 86.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -28.73 60.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.158 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.0 m -69.54 -47.22 64.42 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.449 ' HB3' HD21 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -99.65 -17.38 17.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.682 -176.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.74 35.21 9.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.276 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.474 ' HG ' HD13 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -87.42 169.98 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 178.215 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.68 159.17 18.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 169.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -63.8 -34.45 77.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.659 0.266 . . . . 0.0 111.28 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.62 -28.62 67.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.339 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.37 -37.3 66.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.059 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.425 ' HA ' HG23 ' B' ' 26' ' ' ILE . 58.6 t -67.59 -43.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.182 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -72.67 -20.15 61.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.514 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.1 -33.89 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.92 71.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.728 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.498 HG22 HD21 ' B' ' 31' ' ' LEU . 1.5 p -68.68 -37.17 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.46 ' O ' ' HB1' ' B' ' 60' ' ' ALA . 0.8 OUTLIER -64.8 -37.4 87.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.744 178.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -56.23 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.851 -176.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.415 HG23 HG22 ' B' ' 14' ' ' ILE . 90.3 t -71.27 -44.68 72.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.879 -171.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.492 ' HB2' HD22 ' B' ' 31' ' ' LEU . 72.2 t-105 -66.69 -43.87 83.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.375 -176.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' B' ' 56' ' ' HIS . . . -65.09 -31.32 72.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 111.492 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.18 80.71 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -60.65 -45.48 93.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.15 -43.07 99.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.275 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.485 ' HA ' ' HB2' ' B' ' 67' ' ' LEU . 3.3 t0 -72.01 -20.51 61.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.724 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.38 -25.94 62.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.402 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -115.89 12.68 15.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.498 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 64' ' ' ASP . 0.8 OUTLIER -96.44 121.6 59.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 67' ' ' LEU . 8.0 Cg_exo -73.7 144.96 36.14 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.134 2.556 . . . . 0.0 112.881 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.79 165.39 19.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.008 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.28 -69.24 0.93 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.017 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -101.58 125.95 48.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.68 161.27 25.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.449 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.543 ' HD3' HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -92.02 104.68 17.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 178.212 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 78' ' ' LEU . 29.0 m -95.23 148.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.368 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.4 127.56 54.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 178.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.84 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -148.94 165.99 29.94 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.618 HG21 ' HG2' ' A' ' 90' ' ' GLU . 2.4 t -96.62 124.67 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.49 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -151.36 152.2 30.46 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -176.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.1 141.07 87.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.204 1.936 . . . . 0.0 111.531 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.52 -28.44 69.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.384 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -37.38 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.5 OUTLIER -73.15 -38.21 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.319 175.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.47 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -62.27 -22.97 66.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.791 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -52.71 -45.41 66.91 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.559 0.537 . . . . 0.0 110.539 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 82' ' ' GLN . 0.1 OUTLIER -84.24 -31.62 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 -179.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 95.7 t -64.14 -34.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.917 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' B' ' 90' ' ' GLU . 8.4 tpt180 -60.47 -33.19 72.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.465 176.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -38.64 76.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 110.58 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -76.54 -30.06 56.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.34 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.789 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 31.7 tt0 -66.16 -48.38 70.94 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.349 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.9 66.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.58 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 -32.38 52.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.2 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.18 92.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 110.344 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -24.84 49.63 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 177.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.589 ' HA ' ' HB2' ' B' ' 98' ' ' GLU . 4.1 ttpt -73.86 -25.24 59.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.3 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -21.04 62.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.513 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.98 3.39 41.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.025 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.589 ' HB2' ' HA ' ' B' ' 95' ' ' LYS . 3.5 mt-10 -105.76 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.518 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.27 80.5 1.4 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 172.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -74.44 131.56 41.17 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.108 -170.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 101' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.519 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.08 72.16 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.283 0.563 . . . . 0.0 110.266 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 168.18 9.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.049 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -85.42 108.94 18.1 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 5.2 tp -89.31 169.46 11.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.572 -175.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.412 ' HB ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -102.96 166.22 10.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -22.15 66.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.439 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' OG ' ' HB ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.89 -56.84 13.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.127 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -68.26 -32.65 72.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.724 ' HE1' ' HB1' ' A' ' 27' ' ' ALA . 87.6 t80 -60.35 -53.0 62.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.573 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -66.56 -30.36 70.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 -178.498 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 57.4 mt-10 -66.4 -38.3 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -72.95 -49.43 29.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.43 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.417 HD11 HG23 ' A' ' 24' ' ' ILE . 5.2 pt -75.76 -22.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -173.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.5 tp60 -64.8 -34.2 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.892 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.3 15.89 62.38 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.833 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -128.31 162.89 26.0 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.092 0.472 . . . . 0.0 111.198 -177.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -113.82 92.55 4.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.206 174.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.14 147.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.53 157.14 45.08 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.455 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.62 -39.27 93.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.593 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -62.93 -44.03 97.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.799 0.333 . . . . 0.0 110.182 177.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -59.37 -39.05 82.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.781 177.506 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.417 HG23 HD11 ' A' ' 14' ' ' ILE . 95.8 mt -69.17 -52.56 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.938 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.593 ' HG2' ' HA ' ' A' ' 22' ' ' GLN . 3.5 pt-20 -61.03 -36.26 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.695 -174.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 85.7 mt -70.32 -48.32 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB1' ' HE1' ' A' ' 10' ' ' PHE . . . -60.52 -30.8 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.702 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.707 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 15.1 ttp85 -67.42 -29.38 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.7 -22.24 16.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.573 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 HG11 ' HG ' ' A' ' 31' ' ' LEU . 2.2 t -84.93 -51.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.987 0.423 . . . . 0.0 111.069 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 30.0 mt -92.6 -49.14 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.219 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.707 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 51.7 t -67.22 -29.89 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 111.32 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.61 -10.27 25.43 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.226 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 58.23 49.26 77.51 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.648 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -111.84 159.81 32.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.678 0.275 . . . . 0.0 111.468 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.59 133.19 41.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.895 2.396 . . . . 0.0 112.172 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.66 -30.9 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.033 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.44 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.242 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.336 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -41.45 95.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.008 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.21 73.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.113 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -32.3 73.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.948 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.3 m -78.63 -43.58 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.651 0.262 . . . . 0.0 111.343 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -82.18 -22.96 35.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.709 0.29 . . . . 0.0 111.26 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 15.26 71.28 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.408 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -90.13 167.04 13.04 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.33 154.8 37.11 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -34.93 79.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.774 0.321 . . . . 0.0 110.584 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.253 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.45 72.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.57 -42.36 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 m -73.03 -20.78 60.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.74 -34.09 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.223 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -63.5 -49.21 74.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.132 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.515 ' H ' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -65.51 -38.49 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -41.15 96.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -75.98 -54.2 7.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.41 -46.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.729 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -66.6 -37.71 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.02 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.07 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 17' ' ' LEU . . . -63.11 -47.07 84.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.1 -42.83 95.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.117 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 1' ' ' MET . 3.5 mm-40 -68.81 -46.48 68.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' CG ' ' HE2' ' B' ' 81' ' ' HIS . 35.8 t70 -67.51 -28.11 67.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -68.17 -14.59 63.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.583 -179.54 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -73.93 -21.89 59.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt 55.06 69.76 1.89 Allowed Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.97 -161.06 0.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.324 2.683 . . . . 0.0 112.482 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 123.4 12.04 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.309 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' B' ' 79' ' ' PRO . . . -174.94 33.48 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.938 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.69 122.19 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 158.45 43.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.893 0.378 . . . . 0.0 111.179 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -74.99 105.91 6.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.705 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' B' ' 78' ' ' LEU . 15.7 m -99.64 138.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.512 HG22 HG21 ' B' ' 75' ' ' THR . 0.0 OUTLIER -113.39 129.17 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.944 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.594 ' HA ' ' HG3' ' B' ' 90' ' ' GLU . . . -152.05 151.15 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.005 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 4.0 p -86.83 136.8 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.55 153.34 21.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 29.5 Cg_endo -64.99 136.02 46.59 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.855 1.703 . . . . 0.0 110.793 171.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -29.26 57.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.629 -176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 13.9 m80 -61.9 -51.02 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 3.9 mp0 -72.85 -30.32 63.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HA ' HG21 ' A' ' 86' ' ' VAL . . . -63.35 -23.71 67.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.276 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.47 ' HB3' ' O ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -57.54 -35.64 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.507 176.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 82' ' ' GLN . 2.5 mt -75.96 -37.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.541 . . . . 0.0 109.827 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG21 ' HA ' ' A' ' 83' ' ' ALA . 38.7 t -62.21 -31.13 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.725 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -41.03 67.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 176.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -78.9 -30.77 45.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.708 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.2 -32.68 69.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.831 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 4.3 tt0 -60.53 -41.4 94.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.125 0.488 . . . . 0.0 110.141 175.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.93 60.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.798 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.65 -46.73 74.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.31 75.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -67.6 -43.18 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.327 0.584 . . . . 0.0 109.969 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -23.79 63.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.05 -29.14 68.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -77.85 -32.91 52.37 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.33 36.27 23.41 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.819 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.66 76.75 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -122.1 81.61 1.85 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.414 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.924 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.45 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -154.77 122.15 5.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.85 -179.25 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.641 0.258 . . . . 0.0 110.728 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.604 ' HG3' ' HA3' ' B' ' 34' ' ' GLY . 0.2 OUTLIER -87.16 146.03 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.88 177.428 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.0 tp -126.29 146.85 49.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.76 157.43 23.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.122 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.46 -34.64 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.28 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.81 -32.61 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.622 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 44.5 t80 -60.25 -54.27 47.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.816 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.14 -26.64 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -37.65 82.14 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.749 177.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.71 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.364 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -80.56 2.04 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.18 -37.83 81.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.665 0.269 . . . . 0.0 111.608 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.42 7.28 36.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.742 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.499 ' HA ' HD13 ' B' ' 17' ' ' LEU . 1.8 mm? -103.86 150.29 24.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.425 . . . . 0.0 111.843 -175.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.26 84.68 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.611 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.67 132.31 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.826 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.29 170.98 47.06 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.041 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -55.95 -44.02 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.033 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.424 ' OE1' HD21 ' B' ' 46' ' ' LEU . 28.1 mm-40 -60.81 -44.31 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.208 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.612 ' HA ' ' HB1' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -56.24 -42.96 78.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.934 0.397 . . . . 0.0 110.904 178.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.31 -53.63 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.3 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 43.3 mt-10 -62.44 -38.52 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.759 -174.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.652 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 75.5 mt -65.88 -47.24 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.621 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.622 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.4 -25.1 67.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.62 ' HA ' HG23 ' B' ' 32' ' ' VAL . 1.1 tmm_? -61.7 -28.73 69.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.916 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -103.77 -37.34 3.0 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.464 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.721 HG11 ' HB ' ' B' ' 55' ' ' VAL . 2.6 t -69.7 -51.87 37.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.837 0.351 . . . . 0.0 111.351 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -90.5 -44.25 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.704 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.9 t -73.75 -41.53 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.547 ' CG ' ' HZ1' ' B' ' 35' ' ' LYS . 34.9 t0 -83.57 -12.34 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.604 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 65.84 50.53 52.63 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.168 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.592 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -120.08 154.18 55.65 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.627 0.251 . . . . 0.0 111.586 -171.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.592 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 12.3 Cg_endo -57.78 149.16 70.67 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.966 2.444 . . . . 0.0 112.203 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.622 ' HB3' HG11 ' B' ' 51' ' ' VAL . 3.5 mp0 -86.32 -25.06 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.376 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.22 81.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.286 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.41 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.346 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.652 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 1.5 t80 -64.34 -43.05 95.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.55 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.778 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -59.28 -38.63 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.858 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -70.14 -42.76 72.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -17.48 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.454 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.76 29.19 39.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.227 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.424 HD21 ' OE1' ' B' ' 22' ' ' GLN . 0.2 OUTLIER -100.44 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.29 154.02 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.01 70.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.24 -42.3 99.74 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.702 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.05 82.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.915 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.622 HG11 ' HB3' ' B' ' 37' ' ' GLN . 53.9 t -62.85 -45.48 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -19.23 62.68 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.903 0.382 . . . . 0.0 111.26 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.07 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.863 0.363 . . . . 0.0 110.136 175.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.612 ' HB1' ' HA ' ' B' ' 23' ' ' THR . . . -62.75 -48.78 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.502 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.721 ' HB ' HG11 ' B' ' 30' ' ' VAL . 0.9 OUTLIER -62.59 -42.37 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.45 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.371 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -49.4 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.33 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.94 -41.79 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.6 -39.56 93.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.82 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.456 ' HB3' HD21 ' B' ' 17' ' ' LEU . . . -66.4 -35.4 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.013 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.73 -47.7 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.45 ' OE2' ' HB2' ' B' ' 1' ' ' MET . 2.3 tt0 -64.53 -28.84 69.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.823 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.14 -40.26 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.539 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -21.76 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.014 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.16 -13.37 58.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tp 58.95 89.75 0.1 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.093 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.01 158.13 58.76 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.599 2.199 . . . . 0.0 110.853 172.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 81.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.284 0.564 . . . . 0.0 111.003 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -117.94 43.01 1.7 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.396 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -88.73 118.96 28.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.7 158.05 45.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 1.1 ttm-85 -75.3 105.87 6.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.816 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 m -103.19 137.31 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.283 0.564 . . . . 0.0 111.373 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' THR . . . . . 0.512 HG21 HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -105.57 132.41 51.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.702 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.831 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -145.31 171.64 14.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.012 0.434 . . . . 0.0 111.076 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 t -110.97 126.77 68.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.575 ' HB2' HG21 ' A' ' 74' ' ' VAL . 9.7 mt -151.24 155.43 34.68 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 39.4 Cg_exo -60.84 132.89 44.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.11 1.873 . . . . 0.0 111.253 174.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . 0.448 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.7 OUTLIER -61.39 -18.88 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.514 -178.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . 0.414 ' HE2' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.978 174.671 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -73.18 -27.03 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -56.56 -24.5 47.48 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -58.04 -41.61 83.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.832 0.349 . . . . 0.0 110.315 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.91 -28.99 15.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.212 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' B' ' 83' ' ' ALA . 99.1 t -62.37 -38.56 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.268 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.3 78.95 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 110.36 175.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -40.53 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.353 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -66.03 -35.14 79.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.594 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -62.57 -46.08 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 110.515 177.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -31.61 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.207 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.04 -35.95 72.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.233 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.77 85.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.013 0.435 . . . . 0.0 110.341 176.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -71.46 -36.05 71.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.077 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -77.1 -9.56 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.923 178.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -17.05 56.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -100.49 -48.81 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 95' ' ' LYS . 0.4 OUTLIER 52.86 47.82 23.83 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.694 175.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.14 30.24 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.529 0.681 . . . . 0.0 110.513 174.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -83.2 102.4 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.658 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . 0.453 ' HE ' ' HB3' ' B' ' 101' ' ' ARG . 3.9 mtp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.406 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.001 0.429 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.46 34.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.448 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -81.74 84.89 6.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.379 0.609 . . . . 0.0 109.606 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -124.26 146.74 48.57 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.79 -176.012 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.591 ' HG ' ' CZ3' ' A' ' 59' ' ' TRP . 6.9 mt -133.21 156.4 47.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.865 0.364 . . . . 0.0 111.254 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.31 155.91 17.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 166.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.04 -22.88 67.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.719 0.295 . . . . 0.0 111.617 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -46.89 77.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.178 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.54 -25.78 59.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.878 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.464 ' O ' HG12 ' A' ' 14' ' ' ILE . 44.3 t80 -67.57 -43.56 80.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.367 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -36.63 84.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.41 -37.04 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.061 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -74.95 -45.76 40.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.385 -177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 10' ' ' PHE . 19.0 pt -72.26 -39.23 63.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.57 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 1.6 mt-30 36.57 -109.18 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.422 1.089 . . . . 0.0 113.525 176.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -120.88 33.13 4.53 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 17' ' ' LEU . 2.7 mm? -73.87 153.72 39.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.27 83.42 7.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.569 0.699 . . . . 0.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.99 137.57 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.506 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.51 144.56 35.85 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.399 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -25.91 67.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.553 ' O ' HG12 ' A' ' 26' ' ' ILE . 4.0 tt0 -66.56 -47.65 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 174.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -32.85 73.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.59 -41.75 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 110.262 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -33.58 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.193 176.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.698 HD11 HD13 ' A' ' 46' ' ' LEU . 27.8 mm -70.14 -46.72 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.96 70.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.753 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.9 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.715 176.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.67 -4.08 87.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.95 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG22 ' HG ' ' A' ' 31' ' ' LEU . 16.9 m -111.76 -49.0 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 117.795 0.797 . . . . 0.0 111.251 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.639 ' HG ' HG22 ' A' ' 30' ' ' VAL . 13.1 mt -81.89 -59.27 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.499 0.19 . . . . 0.0 110.677 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 28' ' ' ARG . 3.1 t -64.96 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.749 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.05 -34.71 64.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 98.05 51.02 1.53 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.594 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -143.24 159.96 53.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.921 0.361 . . . . 0.0 111.198 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.38 164.43 20.42 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.806 2.337 . . . . 0.0 112.692 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 55' ' ' VAL . 22.2 mt-30 -74.26 -34.29 63.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.879 -174.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.65 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.104 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.22 90.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.465 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.608 ' HE2' ' HA ' ' A' ' 26' ' ' ILE . 1.8 t80 -67.91 -33.33 74.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.36 92.28 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.92 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -28.76 67.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -73.45 -47.15 43.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -94.27 -20.86 19.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.677 0.275 . . . . 0.0 111.595 -177.074 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.49 31.74 7.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.783 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.698 HD13 HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -95.23 167.62 11.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.715 0.293 . . . . 0.0 110.271 178.771 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.22 161.2 15.16 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 48' ' ' ARG . 6.2 ttp-105 -61.72 -39.91 93.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.75 93.59 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.072 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.78 -38.98 73.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 111.082 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.606 HG11 ' HB3' ' A' ' 37' ' ' GLN . 90.5 t -69.31 -42.02 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.289 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 58.3 m -66.08 -22.95 66.43 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.847 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -64.76 -41.23 96.06 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.52 -43.68 72.56 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.054 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 37' ' ' GLN . 59.3 t -61.02 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.302 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -62.75 -47.59 82.88 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.921 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -43.11 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' A' ' 10' ' ' PHE . 62.5 t -76.59 -46.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.114 -177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.591 ' CZ3' ' HG ' ' A' ' 5' ' ' LEU . 18.2 t-105 -65.42 -35.98 82.55 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.28 90.51 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.427 0.156 . . . . 0.0 111.328 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -28.57 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 61.9 t80 -67.21 -52.43 41.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.807 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.78 -27.85 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.334 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.04 -37.8 88.76 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.127 0.489 . . . . 0.0 110.388 174.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -81.17 -8.33 59.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.013 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -117.85 48.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.115 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.79 91.16 38.22 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -89.51 -8.59 4.45 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.36 2.707 . . . . 0.0 112.816 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -121.32 129.92 53.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.038 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.29 -21.22 59.04 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.324 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 118.6 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 110.832 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.82 158.99 25.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.571 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HB3' HG22 ' B' ' 75' ' ' THR . 4.8 mtt180 -95.78 116.32 28.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.041 0.448 . . . . 0.0 110.018 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' B' ' 78' ' ' LEU . 29.6 m -85.52 140.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.306 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.711 HG22 ' HB3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.93 125.82 32.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.351 -173.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -132.86 156.03 47.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.114 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.6 t -78.03 111.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.746 ' HB2' HG23 ' B' ' 74' ' ' VAL . 0.3 OUTLIER -155.53 150.78 21.1 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.288 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.39 163.77 30.95 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.332 2.021 . . . . 0.0 113.465 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -18.97 63.42 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -69.23 -34.8 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.643 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.582 ' HG2' HD23 ' A' ' 78' ' ' LEU . 26.6 tp60 -72.66 -31.5 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.06 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.546 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.45 -22.55 66.95 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.32 -47.23 72.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.189 0.519 . . . . 0.0 110.241 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.419 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -81.37 -32.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.545 -178.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.546 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 69.7 t -64.96 -33.29 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.814 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.55 91.43 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.889 176.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -28.0 56.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -74.39 -33.37 63.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.536 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 17.7 tt0 -72.57 -28.31 62.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.755 0.312 . . . . 0.0 110.528 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.99 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.274 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -27.04 36.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.871 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.32 -36.38 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.144 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -24.59 57.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -78.01 -9.66 59.23 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -33.47 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 109.799 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -40.69 11.44 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.44 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -104.99 80.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.936 0.874 . . . . 0.0 109.425 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -30.01 63.29 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.298 -1.319 . . . . 0.0 112.507 -173.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 58.3 77.16 0.3 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.898 0.749 . . . . 0.0 110.714 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 101' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.098 0 O-C-N 124.153 0.908 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.007 0.432 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 91.25 6.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.428 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -110.0 86.27 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.452 0.644 . . . . 0.0 109.778 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.505 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.1 OUTLIER -124.06 130.83 53.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.344 -177.113 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 7.2 mt -120.54 155.47 33.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.18 169.86 10.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.028 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -35.89 78.92 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -77.98 -27.53 49.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.924 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.07 -35.6 76.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.695 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.32 -33.38 74.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.776 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG11 ' B' ' 58' ' ' VAL . . . -74.9 -49.21 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.09 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.05 -42.37 52.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 CA-C-O 119.238 -0.41 . . . . 0.0 111.731 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.457 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.4 OUTLIER 45.25 -104.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -126.33 26.33 5.26 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD13 ' B' ' 17' ' ' LEU . 1.9 mm? -70.14 140.95 52.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.78 0.432 . . . . 0.0 110.903 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 84.27 7.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.887 0.851 . . . . 0.0 110.335 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.97 140.05 49.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.604 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.64 50.33 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.663 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.97 -29.8 69.87 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.525 0.33 . . . . 0.0 111.476 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.512 ' O ' HG12 ' B' ' 26' ' ' ILE . 1.2 tp-100 -64.19 -48.08 77.3 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 174.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.551 HG23 ' HB3' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.93 -33.32 75.74 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.425 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.83 -44.26 89.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.101 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -26.58 68.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.757 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.701 HD13 HD13 ' B' ' 46' ' ' LEU . 11.2 mm -68.0 -49.82 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -30.01 68.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.726 ' HA ' HG22 ' B' ' 32' ' ' VAL . 2.1 ttt180 -67.88 -33.93 75.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 175.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.511 ' O ' ' HE2' ' B' ' 35' ' ' LYS . . . -88.58 -4.81 75.9 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.688 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.636 HG21 ' HG ' ' B' ' 31' ' ' LEU . 15.5 m -112.02 -48.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 117.563 0.682 . . . . 0.0 111.086 174.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.636 ' HG ' HG21 ' B' ' 30' ' ' VAL . 10.0 mt -83.3 -58.38 2.86 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.319 -0.238 . . . . 0.0 110.928 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.726 HG22 ' HA ' ' B' ' 28' ' ' ARG . 8.3 t -66.03 -36.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.889 0.376 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.05 -37.3 58.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.313 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.505 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 96.29 51.08 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.42 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.511 ' HE2' ' O ' ' B' ' 29' ' ' GLY . 0.0 OUTLIER -147.58 153.48 43.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.975 0.388 . . . . 0.0 110.844 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.63 166.88 14.52 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.89 2.393 . . . . 0.0 113.368 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.584 ' HG2' HG22 ' B' ' 55' ' ' VAL . 10.0 mt-30 -74.48 -31.49 62.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.071 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.75 90.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.794 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -43.12 99.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.587 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -71.16 -34.16 70.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.147 -178.109 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.72 84.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.004 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -34.48 62.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 m -70.62 -54.64 11.2 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.85 -7.16 54.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.09 41.06 8.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.986 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.701 HD13 HD13 ' B' ' 26' ' ' ILE . 0.4 OUTLIER -109.75 165.14 11.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.592 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 51' ' ' VAL . 0.0 OUTLIER -88.25 157.08 18.88 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.421 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -41.58 90.37 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.23 -25.92 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 113.028 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -40.32 60.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 110.888 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.656 HG22 HD12 ' B' ' 46' ' ' LEU . 19.6 t -66.78 -46.22 86.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.026 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 45.8 m -66.03 -22.44 66.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -44.58 72.06 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.656 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.551 ' HB3' HG23 ' B' ' 23' ' ' THR . . . -68.87 -40.01 79.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.584 HG22 ' HG2' ' B' ' 37' ' ' GLN . 89.4 t -62.72 -45.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.35 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -64.58 -44.0 92.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.752 -178.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -65.77 -51.42 59.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 111.565 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' B' ' 13' ' ' ALA . 24.7 t -65.63 -46.0 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.095 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.522 ' CZ3' ' HG ' ' B' ' 5' ' ' LEU . 14.9 t-105 -67.1 -36.88 82.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.0 91.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.02 -28.03 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -75.9 -56.25 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.09 -47.26 52.69 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.57 -39.54 91.76 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.689 0.281 . . . . 0.0 111.32 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -73.59 -22.88 59.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.328 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.03 11.91 23.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.897 0.38 . . . . 0.0 111.044 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -110.42 103.38 53.98 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.004 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.24 -8.15 11.84 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.073 2.515 . . . . 0.0 112.719 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.24 140.51 30.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.985 0.422 . . . . 0.0 110.921 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.3 -12.17 34.28 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.952 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -92.9 118.38 31.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.144 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.5 19.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 -175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.711 ' HB3' HG22 ' A' ' 75' ' ' THR . 58.6 mtt-85 -100.75 119.89 39.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.391 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.746 HG23 ' HB2' ' A' ' 78' ' ' LEU . 30.3 m -84.79 141.05 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -126.43 135.56 51.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.844 -173.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.4 29.92 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.466 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.536 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -78.8 108.15 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.158 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.585 ' HB2' HG23 ' A' ' 74' ' ' VAL . 20.0 mt -149.1 152.64 36.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -174.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.95 170.04 19.84 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.57 2.18 . . . . 0.0 112.829 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.89 -22.81 63.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.237 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -62.34 -48.65 78.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.633 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -72.78 -29.37 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.859 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.4 -23.18 66.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.062 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -53.24 -48.05 68.52 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.498 0.499 . . . . 0.0 110.856 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.476 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -76.53 -27.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 -178.461 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 76' ' ' ALA . 53.3 t -64.73 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.67 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -25.17 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.21 -34.61 32.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -77.53 -21.49 52.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.386 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.644 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 10.4 tt0 -59.2 -44.66 92.24 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.752 0.657 . . . . 0.0 110.778 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.74 62.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.699 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.4 -30.79 37.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.354 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.38 -33.39 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.232 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -17.96 63.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.895 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' B' ' 95' ' ' LYS . 0.1 OUTLIER -73.14 -14.47 61.38 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.656 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -76.02 -25.4 55.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 110.815 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -97.49 -41.17 8.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.8 83.64 3.46 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.584 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -33.67 72.48 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.564 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm 62.69 88.6 0.09 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.992 0.808 . . . . 0.0 110.35 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' B' ' 101' ' ' ARG . 2.0 mmt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.632 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -123.25 157.97 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 159.81 30.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.74 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -96.73 168.73 10.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.561 176.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tp -111.05 160.82 16.5 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.806 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -99.92 167.13 10.71 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.81 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.98 75.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.443 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -77.01 -23.53 52.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.629 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HA ' HD21 ' A' ' 5' ' ' LEU . 48.9 t80 -62.31 -40.68 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 110.25 175.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.61 -39.29 80.92 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.865 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -29.63 69.94 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.767 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . . . -75.66 -33.51 60.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.316 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 pt -106.1 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -48.04 70.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.93 -14.17 63.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.491 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' HA ' HD11 ' A' ' 17' ' ' LEU . 1.9 mm? -85.49 158.84 20.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.703 0.287 . . . . 0.0 110.569 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -109.26 91.62 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.0 109.706 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.13 142.5 37.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.26 143.49 44.56 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.342 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.57 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.58 0.352 . . . . 0.0 111.841 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -64.8 -50.87 65.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -66.32 -34.17 77.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.205 178.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.39 -35.46 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.854 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.41 -32.79 70.55 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.422 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 23' ' ' THR . 33.3 mt -71.83 -47.05 58.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.212 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HA ' HG21 ' A' ' 30' ' ' VAL . . . -67.24 -19.87 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.712 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.67 -29.03 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 175.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.33 -45.29 1.72 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.829 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.906 HG22 ' HB ' ' A' ' 55' ' ' VAL . 27.3 m -73.55 -24.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.24 0.52 . . . . 0.0 112.341 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 HD11 ' CE3' ' A' ' 59' ' ' TRP . 6.4 tp -107.43 -52.59 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 18.4 t -67.95 -50.09 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.78 -23.55 39.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.74 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 76.19 38.74 33.72 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.828 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -86.56 147.27 43.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.693 -0.253 . . . . 0.0 111.039 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.66 132.08 48.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.156 2.571 . . . . 0.0 112.936 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -73.47 -27.56 61.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.979 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.16 93.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -75.71 -39.06 58.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.762 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.498 ' HB3' HG13 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -63.65 -33.33 75.39 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.222 -177.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.71 ' HA ' HG23 ' A' ' 51' ' ' VAL . . . -61.45 -41.11 96.71 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.46 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -26.16 59.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.618 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -73.75 -44.26 56.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.693 0.282 . . . . 0.0 111.253 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -33.08 37.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.159 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.86 11.15 50.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.86 168.71 10.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 156.16 38.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -37.97 87.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.005 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -25.62 72.98 Favored Glycine 0 C--N 1.335 0.482 0 O-C-N 123.62 0.575 . . . . 0.0 113.223 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.62 42.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.423 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.71 HG23 ' HA ' ' A' ' 41' ' ' ALA . 54.9 t -72.4 -40.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.575 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 25.5 p -74.13 -17.49 60.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.29 -33.72 76.64 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.131 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.1 -45.1 51.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.821 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.906 ' HB ' HG22 ' A' ' 30' ' ' VAL . 8.1 p -66.0 -38.79 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.417 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -67.63 -41.57 83.7 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.521 177.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 1.4 tpt180 -62.2 -56.54 17.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -175.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.32 -40.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.011 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.446 ' CE3' HD11 ' A' ' 31' ' ' LEU . 44.1 t-105 -69.28 -31.51 70.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 56' ' ' HIS . . . -65.28 -39.36 92.48 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.648 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.21 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.42 -44.96 73.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.68 -27.84 64.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.92 0.39 . . . . 0.0 111.184 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -15.38 61.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 177.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HE3' ' HA ' ' A' ' 13' ' ' ALA . 24.6 mttm -77.41 -23.38 50.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.28 22.98 14.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.365 0.602 . . . . 0.0 110.357 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -110.4 109.19 58.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.177 176.246 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HB2' ' H ' ' A' ' 69' ' ' GLU . 2.3 Cg_endo -82.0 -112.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.495 2.797 . . . . 0.0 113.017 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.536 ' H ' ' HB2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -90.58 128.25 36.53 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -176.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.81 25.8 15.91 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.681 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.566 ' HE2' ' HD3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -110.91 134.1 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.589 -0.306 . . . . 0.0 110.323 -177.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.13 160.58 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.861 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -84.79 105.31 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.0 m -93.35 138.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.283 0.563 . . . . 0.0 110.748 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 132.32 53.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -141.6 171.3 14.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' B' ' 73' ' ' ARG . 6.6 t -109.16 125.67 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HB2' HG22 ' B' ' 74' ' ' VAL . 3.2 mt -156.85 152.18 21.84 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 123.491 0.495 . . . . 0.0 109.735 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' B' ' 71' ' ' TYR . 37.4 Cg_exo -60.88 152.09 72.87 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.175 1.917 . . . . 0.0 111.53 173.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 3.0 mt-10 -72.29 -19.33 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.09 -37.03 84.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.848 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 86' ' ' VAL . 53.6 mm-40 -73.3 -36.5 66.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.415 173.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -63.09 -22.58 66.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -52.5 -45.5 66.22 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.224 0.61 . . . . 0.0 110.353 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -33.84 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 92.9 t -66.41 -31.7 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.243 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HA ' ' HD2' ' A' ' 88' ' ' LYS . 25.0 mmmt -78.34 -34.17 48.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.128 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -69.88 -33.45 72.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.968 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -33.85 75.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.738 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.71 83.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.607 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -20.86 43.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.217 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -75.73 -27.22 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.335 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 98' ' ' GLU . 0.6 OUTLIER -71.77 -23.58 61.61 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.16 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.566 ' HD3' ' HE2' ' A' ' 71' ' ' TYR . 34.2 tttp -70.46 -25.15 63.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.272 0.558 . . . . 0.0 110.256 174.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.11 10.28 35.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.214 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.591 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -102.09 155.94 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.86 84.57 4.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -58.14 120.55 8.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.047 -173.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.421 176.458 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.667 0.27 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.517 ' HB3' ' H ' ' B' ' 3' ' ' LYS . 0.1 OUTLIER -78.74 -96.74 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.952 174.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.517 ' H ' ' HB3' ' B' ' 2' ' ' LYS . 0.2 OUTLIER -166.75 165.18 16.52 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.675 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.1 mtp-105 -96.95 174.23 6.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 168.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 6.2 tp -131.61 146.47 52.22 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.724 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 157.0 27.8 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.685 ' HG2' HG12 ' B' ' 32' ' ' VAL . 2.6 mt-10 -63.54 -23.24 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -49.46 68.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.746 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -77.82 -26.14 49.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.707 ' HE1' ' HB1' ' B' ' 27' ' ' ALA . 46.4 t80 -65.51 -47.72 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.208 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -70.03 -27.88 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.634 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -34.24 77.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.978 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.33 73.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.544 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pt -95.25 5.21 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.766 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.57 91.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.371 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.72 18.5 31.94 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -121.11 130.33 53.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.719 0.295 . . . . 0.0 110.464 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -92.0 84.61 5.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 110.206 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.79 152.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 141.86 43.92 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.247 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -62.02 -25.59 67.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.854 0.462 . . . . 0.0 112.191 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -44.68 89.74 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.014 0.196 . . . . 0.0 110.667 177.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.431 ' HA ' HD13 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.81 -35.15 78.11 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.947 0.403 . . . . 0.0 111.038 177.14 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.38 -41.96 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.475 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -26.29 65.47 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.778 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.57 HD12 HD23 ' B' ' 46' ' ' LEU . 46.1 mt -71.54 -46.36 63.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 109.739 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.707 ' HB1' ' HE1' ' B' ' 10' ' ' PHE . . . -67.58 -19.74 65.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.464 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.564 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.3 mtp180 -61.15 -28.62 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.823 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.18 -48.57 1.43 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.834 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 m -77.22 -22.3 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 117.536 0.668 . . . . 0.0 112.702 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.445 HD11 HG22 ' B' ' 55' ' ' VAL . 0.4 OUTLIER -106.4 -50.2 3.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.73 0.3 . . . . 0.0 111.066 -177.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.685 HG12 ' HG2' ' B' ' 7' ' ' GLU . 79.1 t -71.18 -53.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.946 0.403 . . . . 0.0 111.337 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -81.82 -16.98 49.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.675 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 70.13 42.04 68.43 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.84 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -85.74 146.84 44.67 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.18 . . . . 0.0 110.728 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.59 132.68 47.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.96 -25.09 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.539 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.92 77.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.474 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -37.08 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.453 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.58 ' HB3' HG12 ' B' ' 51' ' ' VAL . 0.8 OUTLIER -66.33 -38.94 88.83 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.91 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.406 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -23.63 60.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.7 m -76.2 -36.31 58.69 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.402 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.76 -5.44 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.55 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 23.28 68.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.497 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.57 HD23 HD12 ' B' ' 26' ' ' ILE . 0.3 OUTLIER -93.99 167.8 11.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.909 -178.208 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.04 154.99 35.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -69.23 -39.02 78.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.341 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.52 -26.55 72.94 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.568 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.7 58.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.718 0.294 . . . . 0.0 111.352 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.58 HG12 ' HB3' ' B' ' 40' ' ' PHE . 41.1 t -69.29 -40.27 80.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.271 0.558 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.434 ' O ' HG11 ' B' ' 55' ' ' VAL . 33.4 m -73.22 -19.62 61.05 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.563 177.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -33.54 69.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.587 0.232 . . . . 0.0 110.86 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -43.53 70.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.339 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.445 HG22 HD11 ' B' ' 31' ' ' LEU . 4.3 p -66.25 -35.0 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' B' ' 60' ' ' ALA . 0.0 OUTLIER -65.32 -50.29 66.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.487 177.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -52.08 48.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.49 -43.73 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 123.249 0.343 . . . . 0.0 111.196 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -64.09 -45.37 89.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.517 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' B' ' 56' ' ' HIS . . . -65.92 -35.18 79.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.585 -178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.81 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.199 0.312 . . . . 0.0 110.977 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -72.84 -43.34 62.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.069 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.61 -35.23 70.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.407 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -34.95 75.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 177.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -68.82 -35.16 76.64 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.523 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -29.79 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.2 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' B' ' 68' ' ' PRO . 0.0 OUTLIER -78.5 112.47 26.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.555 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 67' ' ' LEU . 3.8 Cg_exo -76.85 -76.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.896 2.397 . . . . 0.0 112.037 -177.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' B' ' 71' ' ' TYR . 2.5 tp10 -102.32 125.83 49.15 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.756 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.71 48.18 0.96 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 5.5 m-85 -116.21 152.05 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.226 -172.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.404 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . . . -151.27 163.74 38.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.193 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.445 ' HD2' HG22 ' A' ' 77' ' ' VAL . 2.0 mmm180 -96.57 104.76 16.77 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 78' ' ' LEU . 34.5 m -96.1 134.59 33.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.438 0.637 . . . . 0.0 112.001 -169.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.66 114.49 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.157 177.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.58 146.01 50.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.972 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -78.1 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.214 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.82 148.66 17.32 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.579 0.228 . . . . 0.0 110.642 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' B' ' 82' ' ' GLN . 28.5 Cg_endo -65.57 147.2 86.24 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.004 1.803 . . . . 0.0 110.78 169.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -35.62 70.05 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -42.41 80.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.537 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . 0.0 OUTLIER -72.7 -29.52 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 177.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.46 66.62 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.002 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -53.07 -42.72 66.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.094 0.474 . . . . 0.0 110.396 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.47 -28.72 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.958 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.17 -32.69 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.964 0.411 . . . . 0.0 110.192 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -33.97 77.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.74 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -28.42 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.539 ' HA ' ' HB2' ' B' ' 92' ' ' ASP . 12.4 m95 -81.59 -19.95 40.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 2.8 tm-20 -64.35 -42.94 95.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.645 0.736 . . . . 0.0 109.283 171.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.15 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.948 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.539 ' HB2' ' HA ' ' B' ' 89' ' ' TRP . 1.2 t0 -70.69 -37.77 73.63 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . 0.461 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -65.49 -40.97 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 110.464 176.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -76.98 -16.36 59.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.296 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -70.21 -27.76 64.74 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.497 0.319 . . . . 0.0 110.938 178.43 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -20.58 61.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.616 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.06 -2.1 30.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.454 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' B' ' 95' ' ' LYS . 0.0 OUTLIER -89.25 150.83 22.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -178.069 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.97 85.34 3.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.448 0.642 . . . . 0.0 110.668 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 144.17 31.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.416 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.348 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.551 ' HE3' ' HB ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.31 111.22 20.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 110.702 -177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.23 154.66 4.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.662 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.487 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -86.59 133.68 33.7 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 121.0 0.428 . . . . 0.0 110.864 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 5' ' ' LEU . 10.7 tp -117.15 165.23 13.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.455 -176.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.74 162.73 13.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.924 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.42 ' HG3' HG12 ' A' ' 32' ' ' VAL . 4.3 mt-10 -67.07 -36.6 82.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 111.099 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.1 75.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.141 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -77.91 -31.43 51.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.471 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.774 ' HE1' ' HB2' ' A' ' 27' ' ' ALA . 85.6 t80 -66.01 -47.55 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.132 175.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -32.4 72.66 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.81 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.35 -39.45 93.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -72.5 -45.22 60.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.756 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.99 3.86 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -58.63 6.09 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.07 16.47 20.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.239 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.6 mm? -92.93 121.41 34.25 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.23 84.58 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.341 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.03 29.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.242 177.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 146.12 43.88 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.897 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.22 -18.14 65.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.58 -44.5 74.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.326 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -73.2 -35.2 66.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.5 -36.37 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.743 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -34.49 77.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 51' ' ' VAL . 34.6 mt -67.02 -50.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.774 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -67.52 -37.88 83.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -95.01 -31.76 7.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.05 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -76.51 -43.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -176.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD11 ' HE3' ' A' ' 59' ' ' TRP . 92.2 mt -94.67 -55.87 2.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.408 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 HG12 ' HG3' ' A' ' 7' ' ' GLU . 4.9 t -69.67 -46.07 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -173.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 28.2 t0 -79.8 -21.15 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 0.0 109.881 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 86.17 51.05 3.66 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.995 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -103.73 133.97 19.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 120.411 0.148 . . . . 0.0 110.721 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 5.7 Cg_exo -76.2 57.1 5.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.649 2.9 . . . . 0.0 114.771 -175.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.21 -83.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 168.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -27.58 69.4 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -169.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.463 ' HG1' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -67.71 -37.81 82.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.092 0.472 . . . . 0.0 110.645 177.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 1.6 t80 -69.91 -32.74 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.57 73.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.399 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.62 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -68.81 -44.24 73.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -90.95 -15.08 30.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 30.38 25.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.824 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.7 mt -108.16 163.43 13.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.85 155.95 32.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.411 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -66.05 -37.37 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.24 -34.64 69.5 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.811 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.14 75.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.622 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.494 ' HA ' HG22 ' A' ' 26' ' ' ILE . 22.8 t -62.12 -49.55 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.906 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.579 ' HA ' HG21 ' A' ' 55' ' ' VAL . 29.2 m -66.58 -26.09 66.95 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.677 -178.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -33.55 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.83 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.5 -42.33 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG21 ' HA ' ' A' ' 52' ' ' SER . 2.0 t -60.79 -43.27 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -65.27 -45.08 85.96 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -52.73 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.52 -39.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.499 ' HE3' HD11 ' A' ' 31' ' ' LEU . 17.6 t-105 -67.91 -38.43 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.598 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.04 89.62 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.708 0.289 . . . . 0.0 110.992 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -68.49 -37.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.688 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.42 -51.13 62.4 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.389 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -38.79 75.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.969 -174.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.33 -39.81 64.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -73.4 -10.5 59.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.529 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -83.86 -7.9 59.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.255 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.83 94.45 37.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -81.75 -16.46 9.0 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.281 2.654 . . . . 0.0 113.664 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -131.51 110.09 10.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.645 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -117.56 24.22 9.2 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.425 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -92.33 161.54 14.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.465 -0.367 . . . . 0.0 110.776 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.6 166.88 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.528 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' B' ' 76' ' ' ALA . 40.1 ttp85 -101.52 115.93 31.62 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.678 HG22 ' HB2' ' B' ' 78' ' ' LEU . 35.5 m -90.13 106.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.373 1.082 . . . . 0.0 111.204 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -113.32 113.76 25.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.627 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -150.26 170.17 19.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -173.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.529 HG22 ' HG2' ' B' ' 90' ' ' GLU . 0.4 OUTLIER -91.11 136.2 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.773 176.669 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' HG ' ' HD2' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -157.1 147.55 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.847 -178.036 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.515 ' HD2' ' HG ' ' A' ' 78' ' ' LEU . 52.5 Cg_exo -55.74 132.97 55.27 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.267 1.978 . . . . 0.0 111.319 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -22.83 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.21 -46.35 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.726 0.298 . . . . 0.0 110.68 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -34.84 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.333 174.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.04 -22.68 64.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.278 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -53.42 -47.08 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.204 0.526 . . . . 0.0 110.302 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.814 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.24 -31.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.281 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -67.17 -27.67 67.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -33.07 35.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 109.924 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -70.9 -18.74 62.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.927 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.545 ' CG ' ' HA ' ' B' ' 76' ' ' ALA . 0.5 OUTLIER -62.84 -50.45 70.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.597 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.88 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.983 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 11.6 t0 -78.89 -40.72 31.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.675 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.52 -35.44 73.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.926 0.394 . . . . 0.0 110.672 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.0 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.548 175.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER -72.81 -23.1 60.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.287 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -76.46 -21.35 56.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 mt-30 -113.54 -2.38 13.87 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.649 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.6 42.02 24.73 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.8 0.84 . . . . 0.0 111.699 -175.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -93.61 54.55 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.353 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.8 139.0 17.44 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.691 172.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.798 -176.287 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.578 0.228 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 106.61 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.349 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -162.15 164.38 27.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.163 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.578 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 1.8 ttt180 -86.47 131.62 34.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.597 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -125.9 152.89 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.387 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 155.99 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.439 ' HG3' HG12 ' B' ' 32' ' ' VAL . 1.7 mp0 -64.33 -22.86 67.09 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.35 86.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.717 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -78.34 -28.54 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.918 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.629 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 51.1 t80 -63.81 -47.14 82.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.73 178.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -35.02 79.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.272 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -65.19 -35.72 81.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.044 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.16 -41.53 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.209 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -90.99 -5.5 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -61.14 2.5 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.84 25.58 24.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.642 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.6 OUTLIER -113.13 126.51 55.53 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.899 0.381 . . . . 0.0 110.373 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.37 84.12 6.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.478 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.49 146.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.561 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 152.3 51.25 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.301 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.475 ' HA ' HD11 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.58 -17.39 64.8 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.672 0.272 . . . . 0.0 110.326 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.679 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.51 -40.71 96.14 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.257 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' B' ' 21' ' ' GLN . 30.8 mt -69.97 -34.45 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.768 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -38.19 65.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.568 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.541 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 60.6 mt -66.56 -50.11 69.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.629 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -63.23 -25.44 68.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.842 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.461 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -72.27 -38.07 68.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.04 178.332 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 -0.58 57.43 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.471 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.715 HG12 HG21 ' B' ' 55' ' ' VAL . 1.4 t -112.52 -48.64 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.714 HD22 HG12 ' B' ' 55' ' ' VAL . 63.1 mt -89.05 -52.67 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.079 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 23.8 t -67.51 -40.79 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.009 0.433 . . . . 0.0 111.331 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.43 -28.12 52.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.302 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.576 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 82.09 51.11 4.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.884 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 142.35 33.06 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.749 -0.225 . . . . 0.0 110.714 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.93 154.32 73.77 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.501 2.134 . . . . 0.0 112.366 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -29.75 69.12 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.204 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.46 92.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.209 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.01 -31.68 72.72 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.394 0.434 . . . . 0.0 111.694 -174.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.5 78.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.973 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -37.07 60.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.902 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -55.8 11.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 0.0 111.811 -176.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -88.61 -10.5 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.125 -174.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 41.04 19.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.82 167.75 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.812 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.98 156.5 18.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.568 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -39.23 85.7 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.082 0.239 . . . . 0.0 111.609 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.39 -28.71 73.89 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.936 -0.574 . . . . 0.0 113.145 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.76 32.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.812 0.306 . . . . 0.0 111.167 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.409 ' O ' HG22 ' B' ' 55' ' ' VAL . 59.7 t -63.57 -49.5 82.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.366 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -71.67 -18.22 62.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.896 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -35.2 74.09 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.429 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.679 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -72.67 -38.34 67.63 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.715 HG21 HG12 ' B' ' 30' ' ' VAL . 21.2 t -60.59 -43.37 94.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.873 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.34 -51.15 62.51 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.576 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -49.52 74.09 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -170.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.06 -40.86 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.021 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -68.97 -40.07 79.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.458 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.73 70.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.124 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.647 ' HB3' HD23 ' B' ' 17' ' ' LEU . . . -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 176.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -75.15 -33.07 61.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -31.01 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.98 -35.68 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -10.32 59.67 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.996 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -7.01 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.529 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.0 90.47 41.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.805 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.3 -38.16 2.17 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.935 2.423 . . . . 0.0 112.903 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.94 152.77 42.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.202 -176.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.64 29.43 0.44 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.128 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.18 152.76 29.31 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.92 13.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -89.71 105.91 18.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 170.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 4.5 m -88.2 140.63 15.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.568 -171.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -102.87 114.59 29.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.462 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.545 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . . . -128.75 169.01 15.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.49 ' H ' ' HG2' ' A' ' 90' ' ' GLU . 53.4 t -122.57 124.59 71.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.678 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -158.94 155.52 24.69 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.005 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.41 ' HD2' HD23 ' B' ' 78' ' ' LEU . 51.3 Cg_exo -54.63 153.8 22.53 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.488 2.125 . . . . 0.0 112.653 177.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -65.77 -18.46 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.385 -178.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -62.54 -37.76 87.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.944 0.402 . . . . 0.0 110.539 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.505 ' HG2' HD22 ' B' ' 78' ' ' LEU . 19.7 tp60 -71.74 -39.93 69.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.572 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.41 -22.78 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.562 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.35 -49.56 64.08 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 123.469 0.48 . . . . 0.0 110.19 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.06 -32.66 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.348 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.572 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 93.5 t -64.92 -34.5 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 87' ' ' ARG . 4.8 ttm105 -67.43 -29.14 68.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -76.92 -30.43 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.274 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -79.37 -24.53 42.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.004 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.529 ' HG2' HG22 ' A' ' 77' ' ' VAL . 1.7 tt0 -64.75 -46.95 80.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.461 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.78 64.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.786 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -67.82 -49.87 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.736 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . . . -69.57 -29.6 67.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -34.99 78.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -14.11 55.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -22.02 44.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.071 0.462 . . . . 0.0 110.647 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -96.56 -44.38 7.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.571 174.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 57.94 42.08 23.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.383 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -6.59 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.226 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 144.12 27.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.913 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.901 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.416 0.627 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' A' ' 36' ' ' PRO . 46.9 mttp -151.24 179.85 7.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.424 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.639 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 42.6 mmtm -83.93 75.42 10.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.467 0.651 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 5.0 ttm180 -86.2 133.92 33.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.027 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.702 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.1 tp -121.69 134.6 54.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.94 153.99 28.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.517 -177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -51.58 -46.49 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -67.22 -38.7 85.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.044 0.449 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' CE1' HG13 ' A' ' 58' ' ' VAL . 83.6 t80 -57.92 -41.57 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.954 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -66.38 -42.53 87.79 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.15 -41.72 98.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.474 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -61.05 -49.57 76.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.927 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 pt -79.82 -26.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -59.09 -26.71 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.1 0.476 . . . . 0.0 111.946 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -93.75 3.77 71.44 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.004 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -121.14 158.24 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.312 0.577 . . . . 0.0 111.87 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 85.23 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.748 174.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.88 141.33 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.394 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.03 174.43 49.24 Favored Glycine 0 N--CA 1.438 -1.203 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.361 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.54 -36.93 81.96 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.067 -0.567 . . . . 0.0 111.968 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 26' ' ' ILE . 37.2 mt-30 -58.8 -51.08 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.76 HG22 ' HA ' ' A' ' 54' ' ' ALA . 42.1 m -59.2 -39.53 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.633 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.17 -51.04 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.83 -31.81 72.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 88.0 mt -66.59 -49.15 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' A' ' 31' ' ' LEU . . . -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.431 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.682 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 24.5 ttm-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.216 0.532 . . . . 0.0 110.151 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.98 -46.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.081 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HB ' ' A' ' 55' ' ' VAL . 2.6 t -61.97 -41.45 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 123.224 0.61 . . . . 0.0 111.825 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD11 ' HB1' ' A' ' 27' ' ' ALA . 73.4 mt -98.34 -54.25 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.702 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 41.7 t -67.33 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -172.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.23 -10.52 44.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.524 0.678 . . . . 0.0 109.949 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' CA ' ' HG3' ' A' ' 4' ' ' ARG . . . 68.26 28.37 73.34 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.878 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.706 ' HD3' ' HD1' ' A' ' 40' ' ' PHE . 37.8 tttp -76.87 133.94 69.13 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 114.756 -0.722 . . . . 0.0 110.63 -172.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.581 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 75.8 Cg_exo -50.35 127.08 19.18 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 123.133 2.555 . . . . 0.0 112.419 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.1 -37.57 85.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.194 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.8 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.317 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.446 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 p -66.33 -24.55 66.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.718 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.706 ' HD1' ' HD3' ' A' ' 35' ' ' LYS . 12.9 t80 -70.99 -51.49 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.824 ' HB2' HG22 ' A' ' 51' ' ' VAL . . . -53.35 -49.71 66.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.348 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -61.94 -32.05 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.81 0.338 . . . . 0.0 111.491 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.446 ' HB3' HD23 ' A' ' 44' ' ' LEU . 20.6 t -79.37 -44.55 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 111.023 -176.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 43' ' ' SER . 3.0 mm? -94.01 -4.26 49.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.845 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.18 34.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.761 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 27.6 mt -96.39 163.73 12.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.452 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -89.28 156.51 18.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.571 ' H ' ' HD2' ' A' ' 48' ' ' ARG . 3.4 mpt_? -62.99 -39.05 93.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.11 0.481 . . . . 0.0 109.826 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.11 -40.65 98.29 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.77 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.48 93.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.882 0.341 . . . . 0.0 111.067 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.824 HG22 ' HB2' ' A' ' 41' ' ' ALA . 45.5 t -66.39 -45.51 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.345 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 m -62.87 -30.05 71.22 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.762 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.579 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.7 tt0 -67.89 -46.78 70.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.76 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -64.5 -43.66 93.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.554 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.551 HG21 HD22 ' A' ' 31' ' ' LEU . 6.2 p -66.83 -45.17 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.238 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.56 -46.03 77.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.579 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -58.31 -57.86 11.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -173.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.415 HG13 ' CE1' ' A' ' 10' ' ' PHE . 77.0 t -64.63 -43.76 96.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -176.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.639 ' CZ2' ' HD2' ' A' ' 3' ' ' LYS . 60.0 t-105 -64.5 -44.93 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.523 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -38.66 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.09 93.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.537 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.4 -47.87 83.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.181 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.73 -35.37 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.717 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.43 -41.55 84.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.67 -21.88 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -74.05 -27.38 60.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp 65.33 96.45 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.654 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.38 165.71 30.77 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.962 2.442 . . . . 0.0 111.457 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -103.13 112.59 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.035 0.445 . . . . 0.0 110.532 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -104.25 1.01 43.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.457 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -127.93 172.35 10.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.316 0.558 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.36 160.96 39.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.625 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -121.41 131.7 54.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.113 0.482 . . . . 0.0 110.0 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.531 HG13 ' HB3' ' B' ' 83' ' ' ALA . 33.4 m -97.66 148.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -135.94 133.17 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.766 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.514 ' HB1' ' CG1' ' B' ' 86' ' ' VAL . . . -148.87 153.94 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.342 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.612 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 50.3 t -79.31 122.32 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 171.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 mt -151.26 153.69 32.9 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.02 139.74 60.8 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.058 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.82 -29.97 65.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.192 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -71.56 -24.41 61.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.46 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.1 mm-40 -71.52 -27.95 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.278 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.566 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.19 -24.87 65.12 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.74 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -56.4 -47.2 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.507 0.67 . . . . 0.0 109.991 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.4 mt -83.58 -28.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.938 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 72.0 t -61.92 -43.27 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.659 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 87' ' ' ARG . 38.3 ttp180 -63.18 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -62.33 -50.99 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.272 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -61.58 -39.56 91.62 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.738 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.737 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.1 tt0 -55.54 -48.06 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.256 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.82 44.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.76 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -70.67 -42.48 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.196 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.44 -43.11 91.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.386 . . . . 0.0 110.845 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -66.65 -23.41 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.114 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -73.3 -8.99 58.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -78.93 -18.35 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.436 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -91.17 -39.3 12.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.493 0.663 . . . . 0.0 109.786 175.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.82 -179.48 7.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.194 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 m -141.82 118.57 11.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.885 0.85 . . . . 0.0 112.271 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -98.14 161.19 13.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.194 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.995 176.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 mttp 59.28 -165.51 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.714 0.634 . . . . 0.0 111.006 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -121.83 104.29 9.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.942 0.401 . . . . 0.0 111.243 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.518 ' HG3' ' CA ' ' B' ' 34' ' ' GLY . 12.6 ttm180 -105.05 137.05 43.4 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.886 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 30.4 tp -128.61 156.04 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.25 154.12 19.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.79 -19.72 62.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.673 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.8 p -68.25 -54.28 18.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.504 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -71.02 -28.63 64.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.13 0.491 . . . . 0.0 110.386 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.21 -41.25 88.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.264 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -71.71 -37.89 70.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.14 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.24 -39.4 90.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.967 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.12 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.044 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 45.1 pt -75.29 -16.49 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.86 -28.22 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 111.387 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.417 ' C ' HD21 ' B' ' 17' ' ' LEU . . . -89.04 2.49 84.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.39 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.417 HD21 ' C ' ' B' ' 16' ' ' GLY . 3.6 mm? -123.39 144.73 49.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.636 0.255 . . . . 0.0 110.966 -177.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.79 82.76 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.252 1.025 . . . . 0.0 109.67 170.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.593 HG23 HD12 ' B' ' 24' ' ' ILE . 6.4 m -114.74 135.48 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.204 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 171.62 55.16 Favored Glycine 0 N--CA 1.433 -1.544 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.699 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.36 -27.04 67.08 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.859 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.1 -40.89 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.47 HG22 ' HA ' ' B' ' 54' ' ' ALA . 25.7 m -79.99 -38.34 32.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.323 0.582 . . . . 0.0 110.33 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.593 HD12 HG23 ' B' ' 19' ' ' VAL . 59.0 mt -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.862 -174.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.13 -34.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.6 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 57.5 mt -72.15 -49.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' B' ' 31' ' ' LEU . . . -63.58 -29.44 70.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.091 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 49.7 ttm-85 -59.83 -29.42 68.25 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.899 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.8 -46.97 0.99 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.984 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.14 -43.44 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 C-N-CA 123.007 0.523 . . . . 0.0 111.715 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.683 HD22 HG21 ' B' ' 55' ' ' VAL . 69.9 mt -92.91 -60.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.489 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 26.1 t -63.38 -43.66 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.876 -173.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.5 -7.87 49.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 109.93 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.518 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 63.48 28.02 71.77 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.044 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -75.53 139.18 70.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.565 -0.318 . . . . 0.0 111.42 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.482 ' HB2' ' OG1' ' B' ' 39' ' ' THR . 50.3 Cg_exo -53.84 129.92 36.56 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.35 2.7 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.49 -39.97 92.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.208 -170.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.82 94.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.953 0.406 . . . . 0.0 111.355 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 1.3 p -74.61 -23.08 58.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.279 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 10.0 t80 -71.08 -50.65 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.836 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -51.18 -54.08 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.52 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.033 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -80.82 -38.75 27.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -99.75 3.48 44.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.34 34.58 50.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.809 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.836 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 25.0 mt -95.35 164.08 12.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.988 0.423 . . . . 0.0 110.352 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.2 p -98.21 166.31 11.46 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.651 ' HD2' ' H ' ' B' ' 48' ' ' ARG . 1.1 mpt_? -67.71 -37.31 82.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.0 -43.28 82.67 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.4 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.17 -46.05 91.03 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.707 0.254 . . . . 0.0 111.126 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.687 HG22 ' HB3' ' B' ' 41' ' ' ALA . 95.4 t -60.62 -45.56 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 110.557 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.4 m -66.3 -33.59 76.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.981 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.21 -45.38 73.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.857 0.36 . . . . 0.0 110.637 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.47 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -63.95 -45.12 90.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.443 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.683 HG21 HD22 ' B' ' 31' ' ' LEU . 7.3 p -67.77 -38.54 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.43 -50.6 64.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.006 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.19 -51.86 61.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.766 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.07 -46.05 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.747 0.308 . . . . 0.0 111.254 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.886 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 61.5 t-105 -65.35 -38.4 89.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.245 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.24 75.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.86 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.064 0.459 . . . . 0.0 110.204 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.19 -44.17 76.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.917 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' B' ' 66' ' ' ASN . 11.9 tp10 -59.73 -42.72 93.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.328 -177.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.696 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -84.99 2.5 42.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.556 0.693 . . . . 0.0 110.473 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' B' ' 63' ' ' GLU . 9.7 t30 -84.18 -34.91 23.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.657 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp 54.77 74.08 0.79 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.648 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.92 146.66 53.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.781 2.32 . . . . 0.0 111.071 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.27 94.82 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.923 0.392 . . . . 0.0 110.056 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.52 11.53 67.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.447 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -141.64 166.82 23.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.933 0.366 . . . . 0.0 110.589 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.04 148.02 32.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 10.1 ptp180 -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.868 0.365 . . . . 0.0 110.258 177.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.7 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.176 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.4 m -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.716 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.499 ' HB1' ' CG1' ' A' ' 86' ' ' VAL . . . -140.33 146.23 38.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.375 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.737 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 67.0 t -78.67 110.97 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -150.74 146.17 19.18 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.04 152.72 49.66 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 0.0 112.275 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.45 -27.43 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.124 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.18 -28.05 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.471 ' O ' HG22 ' B' ' 86' ' ' VAL . 84.4 mm-40 -72.1 -34.25 68.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.176 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.59 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -59.92 -23.38 63.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -176.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.46 -48.38 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -84.61 -35.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.471 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.59 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 97.7 t -57.87 -42.58 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.87 -35.09 77.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.421 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -71.14 -43.68 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.644 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -65.68 -31.64 72.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.612 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 42.9 tt0 -60.53 -42.06 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.113 0.482 . . . . 0.0 110.129 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.0 -30.4 55.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.575 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' B' ' 95' ' ' LYS . 28.0 t70 -65.67 -37.58 86.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.03 96.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 110.742 177.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -75.98 -26.37 56.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.091 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' B' ' 92' ' ' ASP . 27.4 ttpp -74.02 -14.65 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.571 0.7 . . . . 0.0 110.007 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -81.23 -18.22 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.52 -48.36 6.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.348 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.43 98.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.12 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 3.8 m -74.59 84.94 2.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.709 0.766 . . . . 0.0 110.011 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.568 ' HB2' ' HZ1' ' B' ' 100' ' ' LYS . 0.0 OUTLIER -98.98 174.27 6.43 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.82 -179.055 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.756 -179.515 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -96.18 127.0 41.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -98.37 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.53 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.776 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -108.99 166.52 10.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.171 0.51 . . . . 0.0 110.456 178.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 3.5 tp -121.35 145.68 47.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.096 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 8.3 mt-10 -64.14 -22.14 66.82 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -49.12 73.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -78.72 -23.89 45.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.748 179.291 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 65.0 t80 -63.14 -42.03 99.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.674 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -31.93 72.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.387 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.52 -38.63 90.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.698 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -68.23 -43.65 77.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.578 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.45 2.83 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.32 -37.05 84.48 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.722 0.296 . . . . 0.0 110.945 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.22 26.57 19.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.195 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -133.91 140.98 47.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.406 -179.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.61 85.35 2.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 171.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.91 173.42 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.788 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 135.72 45.95 Favored Glycine 0 C--N 1.315 -0.595 0 CA-C-N 114.418 -1.264 . . . . 0.0 112.311 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.591 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -71.74 -18.14 62.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.295 . . . . 0.0 111.513 -176.421 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -43.95 93.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 176.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 HG23 ' HA ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -65.56 -35.6 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 177.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' A' ' 21' ' ' GLN . 70.4 mt -68.27 -36.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.329 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.2 -37.32 85.29 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.474 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.625 HG22 ' HA ' ' A' ' 51' ' ' VAL . 21.5 mt -71.6 -49.44 46.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.639 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -63.61 -21.03 66.14 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.966 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.14 -29.01 69.81 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 177.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 -26.32 5.55 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.292 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -86.3 -40.71 14.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.877 0.37 . . . . 0.0 111.061 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -45.77 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.178 -177.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.62 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 55.2 t -74.35 -56.22 9.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 111.611 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -28.59 61.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.463 0.649 . . . . 0.0 109.741 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.776 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 77.55 43.57 15.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.146 -0.933 . . . . 0.0 112.022 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -90.1 144.42 31.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.189 . . . . 0.0 110.73 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.79 130.77 42.16 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.126 2.55 . . . . 0.0 112.441 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.05 -30.85 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.098 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.37 66.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.007 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -34.15 75.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.645 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.54 -38.38 90.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 110.633 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' HB2' HG22 ' A' ' 51' ' ' VAL . . . -66.87 -42.57 85.4 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.428 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -30.2 64.91 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 -41.73 34.42 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.663 0.245 . . . . 0.0 111.663 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.88 -7.62 48.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.77 19.72 62.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.118 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD23 HG12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -93.82 161.21 14.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -177.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -83.6 157.78 22.15 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -33.26 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.57 73.72 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.708 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.99 -40.46 27.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.625 ' HA ' HG22 ' A' ' 26' ' ' ILE . 97.5 t -68.87 -40.46 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.98 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.484 ' HA ' HG13 ' A' ' 55' ' ' VAL . 14.7 m -74.21 -19.82 60.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.229 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -69.93 -39.02 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -66.12 -45.96 79.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.722 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 11.0 p -67.15 -36.58 77.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.162 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.461 ' N ' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -66.15 -44.41 84.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.755 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.36 -57.31 5.46 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -171.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.38 -37.38 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.32 . . . . 0.0 111.283 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -61.41 -44.35 97.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.949 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.62 70.63 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.16 95.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.388 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 19.2 t80 -74.05 -32.35 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.803 178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -45.4 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.628 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 5.4 t70 -71.78 -28.78 63.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.643 0.259 . . . . 0.0 110.885 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 175.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -10.34 59.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.337 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.28 105.07 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 124.481 1.112 . . . . 0.0 112.103 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.628 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 1.2 Cg_endo -84.22 64.48 6.94 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.466 2.777 . . . . 0.0 110.846 175.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.81 136.05 41.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.343 -173.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' B' ' 79' ' ' PRO . . . -157.8 44.92 0.49 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.222 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -69.54 118.7 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.487 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.69 166.86 23.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.048 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 105.89 11.44 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG11 ' HB3' ' B' ' 83' ' ' ALA . 29.9 m -106.48 129.55 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.712 0.768 . . . . 0.0 112.106 -173.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -105.13 132.26 51.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.04 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.55 158.78 44.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.423 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 20.4 t -86.04 122.14 38.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.96 146.43 18.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.95 148.78 91.61 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.637 2.224 . . . . 0.0 112.134 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -65.03 -32.54 74.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.527 -176.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.46 -41.39 98.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -73.53 -29.95 62.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.82 -21.55 66.03 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.666 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -52.29 -44.14 64.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.123 0.487 . . . . 0.0 110.49 173.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -80.36 -36.18 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.19 -37.83 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.378 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -30.84 71.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.856 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -26.99 49.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.419 177.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -79.46 -17.66 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.497 ' HG2' ' HB2' ' B' ' 76' ' ' ALA . 38.2 mt-10 -58.74 -40.99 85.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.179 0.514 . . . . 0.0 110.772 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -23.07 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.98 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -25.98 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' B' ' 79' ' ' PRO . . . -71.39 -35.69 71.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.212 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -75.94 -19.26 58.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.815 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -17.29 62.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.263 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.44 -30.31 64.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.171 0.51 . . . . 0.0 110.311 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -26.46 23.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.851 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.28 169.87 16.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.115 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.0 110.42 14.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.185 -173.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.77 85.22 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.062 172.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.233 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 121.045 0.45 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -99.33 157.36 16.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.233 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -129.14 152.85 48.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.216 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.513 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 2.4 mtp180 -106.43 179.29 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.405 ' HB2' HD21 ' B' ' 31' ' ' LEU . 6.2 tp -135.89 149.64 49.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.047 178.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.79 159.17 25.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.9 -38.39 72.75 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -40.2 83.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.135 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.04 -26.92 48.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.993 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.612 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 79.4 t80 -64.49 -45.04 89.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -69.83 -26.87 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.935 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -33.51 73.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -74.86 -47.51 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.26 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.56 ' HA ' ' HB2' ' B' ' 17' ' ' LEU . 2.5 pt -84.29 6.62 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -49.85 27.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.944 0.898 . . . . 0.0 112.723 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.43 19.9 23.72 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.191 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.56 ' HB2' ' HA ' ' B' ' 14' ' ' ILE . 0.3 OUTLIER -94.75 99.41 11.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.167 0.508 . . . . 0.0 111.184 -177.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.05 84.15 4.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.005 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 m -129.14 178.75 4.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.914 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 132.35 35.77 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.415 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.61 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.2 tt0 -67.61 -17.56 64.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -58.91 -43.04 91.0 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.849 0.295 . . . . 0.0 110.774 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -40.1 90.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.136 0.493 . . . . 0.0 111.129 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' B' ' 21' ' ' GLN . 17.5 mt -69.95 -34.25 59.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.294 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 80.9 mm-40 -60.09 -41.98 93.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.854 0.462 . . . . 0.0 110.683 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.453 ' HB ' ' CB ' ' B' ' 54' ' ' ALA . 13.7 mt -72.4 -49.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.612 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.612 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.33 -22.35 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.431 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 3.8 ttm105 -65.8 -29.1 69.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.263 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.2 -31.42 3.31 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.631 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.6 -44.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.006 0.432 . . . . 0.0 110.542 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.593 HD12 HG21 ' B' ' 55' ' ' VAL . 0.9 OUTLIER -91.87 -45.32 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 15.9 t -76.3 -53.41 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.519 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 19.6 t70 -74.28 -29.21 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.253 0.549 . . . . 0.0 109.962 -177.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 83.99 43.61 7.08 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.899 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.473 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -96.92 140.18 21.97 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.391 . . . . 0.0 110.775 -178.019 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.473 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 88.7 Cg_exo -50.35 141.47 32.09 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.134 2.556 . . . . 0.0 112.578 173.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -76.93 -34.57 57.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.504 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.17 68.35 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -39.37 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.269 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.52 -32.52 73.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.957 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.26 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.72 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -46.52 33.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -63.37 -51.11 67.25 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' B' ' 46' ' ' LEU . 7.8 mt -95.66 -8.04 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.289 . . . . 0.0 111.543 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.22 33.53 32.1 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.336 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -89.92 168.88 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.243 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.99 169.88 10.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -46.63 81.94 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 111.053 -177.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.97 74.83 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.696 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.91 71.52 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.629 0.252 . . . . 0.0 111.371 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.65 -41.09 87.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 10.2 m -68.28 -27.16 66.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.474 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 5.4 tp-100 -66.83 -37.78 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.629 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.453 ' CB ' ' HB ' ' B' ' 26' ' ' ILE . . . -67.84 -45.84 73.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.973 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.593 HG21 HD12 ' B' ' 31' ' ' LEU . 8.9 p -71.35 -38.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.375 -177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -68.23 -47.47 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 179.307 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.0 OUTLIER -69.78 -46.72 65.13 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -171.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.75 -40.06 85.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.372 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -60.01 -47.82 84.26 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.055 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -30.99 71.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.888 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.474 ' HB2' HD23 ' B' ' 17' ' ' LEU . . . -65.4 -36.34 83.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.968 176.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 13.1 t80 -75.61 -36.63 60.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.961 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.5 -37.65 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.517 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.55 -30.04 67.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 110.986 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.43 61.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.966 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.89 -13.03 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt 58.74 83.61 0.21 Allowed Pre-proline 0 N--CA 1.467 0.4 0 O-C-N 124.008 0.817 . . . . 0.0 111.166 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.97 127.96 21.75 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.898 2.399 . . . . 0.0 112.157 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.96 75.51 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.232 0.539 . . . . 0.0 110.885 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.47 64.76 2.85 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.747 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.43 118.48 31.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.996 0.427 . . . . 0.0 111.175 -175.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.0 141.57 18.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.12 104.45 16.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.11 116.74 48.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.314 -174.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -99.5 114.29 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.34 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.497 ' HB2' ' HG2' ' A' ' 90' ' ' GLU . . . -131.71 153.69 49.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.97 113.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 151.21 34.2 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.628 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 93' ' ' ALA . 38.2 Cg_exo -61.62 150.45 85.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.793 2.328 . . . . 0.0 113.12 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.87 69.58 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.899 -176.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -69.87 -39.2 76.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.893 0.377 . . . . 0.0 110.612 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -72.7 -26.83 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.908 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.486 ' HB3' HG11 ' A' ' 74' ' ' VAL . . . -62.89 -22.56 66.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.475 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.38 -46.96 69.84 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.423 0.63 . . . . 0.0 110.435 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.95 -25.66 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.067 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' B' ' 83' ' ' ALA . 45.9 t -69.61 -31.14 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -28.86 66.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -76.51 -33.82 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.038 0.447 . . . . 0.0 110.481 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -73.14 -26.72 61.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.128 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 3.5 tt0 -63.03 -35.35 79.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.961 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.65 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.492 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' B' ' 95' ' ' LYS . 0.3 OUTLIER -80.21 -31.48 38.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.84 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.125 173.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.28 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 92' ' ' ASP . 33.2 mtpt -69.04 -9.37 52.17 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.525 -178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -76.92 -13.52 59.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.744 0.306 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -33.92 12.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.13 0.491 . . . . 0.0 110.109 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.49 138.43 31.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.149 -174.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 77.3 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.29 106.48 3.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.075 -172.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 . . . . . 0 C--O 1.243 0.751 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.121 175.656 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.25 0.548 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HZ3' ' NE2' ' A' ' 37' ' ' GLN . 58.1 mttp -137.91 130.56 29.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.276 176.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.15 139.21 56.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.016 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.61 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 2.9 mpt_? -94.31 146.8 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.353 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.6 tp -112.14 159.39 18.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.143 -176.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.2 151.64 22.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 42.9 mt-10 -68.57 -21.27 64.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.917 -172.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -63.56 -55.33 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -70.54 -23.88 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.55 ' CE2' HG23 ' A' ' 24' ' ' ILE . 77.0 t80 -64.2 -45.95 86.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.577 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.47 -32.44 72.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 37.2 mt-10 -72.11 -43.93 63.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.02 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -61.26 -30.32 70.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.253 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 10' ' ' PHE . 41.5 pt -96.14 -11.91 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -42.49 -60.03 1.66 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.62 18.46 32.25 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.508 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD21 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -102.77 148.33 25.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 111.332 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.76 84.84 7.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.59 128.61 60.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.159 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.3 172.49 49.13 Favored Glycine 0 N--CA 1.433 -1.552 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.052 175.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -53.97 -37.32 63.84 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 123.756 0.327 . . . . 0.0 111.347 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 26' ' ' ILE . 95.6 mt-30 -59.23 -51.74 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.933 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.613 HG23 ' HA ' ' A' ' 54' ' ' ALA . 25.5 m -61.78 -38.6 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.409 0.623 . . . . 0.0 110.291 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.55 HG23 ' CE2' ' A' ' 10' ' ' PHE . 75.6 mt -69.02 -46.97 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.843 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.74 -31.22 67.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.416 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 22' ' ' GLN . 89.2 mt -69.5 -46.13 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . -64.62 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.666 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 54.6 ttt180 -58.31 -28.89 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.292 0.568 . . . . 0.0 110.007 176.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA3' ' HZ ' ' A' ' 40' ' ' PHE . . . -93.69 -60.39 1.15 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.556 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 33.9 m -63.54 -29.38 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 117.302 0.551 . . . . 0.0 112.234 -174.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 HG22 ' A' ' 55' ' ' VAL . 91.9 mt -102.82 -61.38 1.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.237 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.666 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.5 t -63.66 -43.48 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.031 0.443 . . . . 0.0 111.3 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 23.2 t70 -86.53 -18.41 31.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.514 0.673 . . . . 0.0 109.777 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.61 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 68.72 29.8 72.73 Favored Glycine 0 CA--C 1.504 -0.606 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.013 -174.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 30' ' ' VAL . 21.6 ttmm -82.4 136.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.697 -0.751 . . . . 0.0 111.175 -170.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -52.91 131.0 40.3 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.212 2.608 . . . . 0.0 112.637 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -56.56 -33.66 66.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.865 -174.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.43 -26.72 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.722 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.2 m -62.93 -47.47 83.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.627 ' HZ ' ' HA3' ' A' ' 29' ' ' GLY . 80.3 m-85 -70.68 -35.28 72.72 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.547 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.42 83.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.553 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.5 m -75.18 -50.89 14.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -73.77 -43.74 58.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -171.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 40' ' ' PHE . 7.2 mp -91.04 -4.23 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -177.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.5 29.23 68.25 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.792 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.48 157.64 19.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.931 0.396 . . . . 0.0 110.419 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 p -81.04 155.73 26.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.757 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -66.61 -27.07 67.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.797 -174.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.54 -30.3 53.65 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.545 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.87 -42.86 48.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.16 -39.22 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.274 0.559 . . . . 0.0 110.275 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 p -77.86 -19.76 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.411 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.42 -45.95 81.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.074 0.464 . . . . 0.0 110.178 176.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -62.49 -42.71 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.05 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.709 HG22 HD23 ' A' ' 31' ' ' LEU . 6.8 p -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.795 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -66.68 -45.81 77.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' HG2' HG22 ' A' ' 23' ' ' THR . 22.8 tpt180 -56.86 -53.07 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.961 -175.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.5 t -78.41 -43.12 26.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.527 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 68.0 t-105 -65.02 -41.69 95.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.241 -175.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.24 89.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.66 90.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.715 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.99 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.825 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.91 -39.37 89.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.399 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.91 -22.25 63.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.651 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.603 ' HE2' ' HB3' ' A' ' 12' ' ' GLU . 26.3 mtpp -85.31 0.4 52.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.85 -10.97 54.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.038 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 47.7 tp -101.25 106.76 47.12 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.293 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 6.7 Cg_endo -88.02 96.56 0.41 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.37 2.714 . . . . 0.0 112.318 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -67.76 124.36 23.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.989 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.98 46.58 2.96 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.37 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -140.12 117.63 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.2 138.21 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.034 0.445 . . . . 0.0 111.641 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.9 119.51 39.65 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.49 HG22 ' HB2' ' B' ' 78' ' ' LEU . 35.9 m -85.15 144.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.245 0.545 . . . . 0.0 110.936 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -135.25 118.71 16.84 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.183 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.95 172.93 12.06 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.51 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 70.4 t -77.1 108.25 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' B' ' 93' ' ' ALA . 54.6 mt -151.44 88.63 4.3 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.579 -175.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.75 176.63 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.275 1.984 . . . . 0.0 112.548 -177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.35 45.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.715 -165.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -64.31 -43.58 94.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.038 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.1 mm100 -71.57 -40.96 69.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.194 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HB3' HG11 ' B' ' 74' ' ' VAL . . . -59.75 -24.09 63.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.518 -175.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -52.76 -50.02 64.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -79.99 -32.57 14.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.009 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 91.4 t -58.71 -45.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.934 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -62.41 -33.95 75.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.246 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -76.54 -29.48 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -78.92 -17.88 54.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.378 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.772 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 36.0 tt0 -55.89 -43.85 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 111.157 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.36 55.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.47 -39.92 77.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.727 ' HB3' HD22 ' B' ' 78' ' ' LEU . . . -65.88 -40.86 92.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.917 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.9 -34.5 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.201 0.524 . . . . 0.0 110.284 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 95' ' ' LYS . 1.3 tmmt? -68.78 -22.86 64.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.639 177.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -79.65 -26.75 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -77.68 -32.09 52.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.747 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -84.69 113.24 21.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.1 80.24 9.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.202 -176.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -111.37 -174.27 2.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.352 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.941 174.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 mtm . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.073 0.464 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -131.11 135.06 47.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.526 ' HD2' ' HZ2' ' B' ' 59' ' ' TRP . 38.6 ttmt -73.81 127.3 32.46 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.551 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 10.7 mtt180 -98.25 159.89 14.65 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.069 0.461 . . . . 0.0 110.88 -168.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 26.2 tp -125.01 153.8 42.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.514 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.03 151.75 20.0 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.01 -0.431 . . . . 0.0 110.153 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' B' ' 11' ' ' GLN . 45.1 mt-10 -66.83 -21.46 66.03 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -68.32 -46.99 68.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.373 0.606 . . . . 0.0 109.996 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -78.04 -22.87 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.588 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.36 -38.85 91.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.132 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 82.3 mm-40 -66.58 -34.97 79.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.615 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 51.1 mt-10 -69.58 -41.37 75.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.587 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.17 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.515 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 pt -78.05 -44.37 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' B' ' 12' ' ' GLU . 19.4 tm0? 44.2 -83.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.738 1.215 . . . . 0.0 113.231 174.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.21 32.75 1.14 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.4 154.62 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.97 82.51 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.29 141.81 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.049 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.78 156.83 40.94 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.022 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.3 -29.19 67.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.381 -0.409 . . . . 0.0 111.657 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.42 ' O ' HG13 ' B' ' 26' ' ' ILE . 90.4 mt-30 -62.2 -40.0 94.61 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.344 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.506 HG23 ' HA ' ' B' ' 54' ' ' ALA . 26.2 m -64.82 -40.99 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.442 0.639 . . . . 0.0 110.095 175.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.01 -41.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.246 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -63.98 -36.6 84.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' B' ' 51' ' ' VAL . 85.8 mt -69.15 -44.95 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.543 ' HB3' HD13 ' B' ' 31' ' ' LEU . . . -63.66 -28.58 70.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.293 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.716 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 60.0 ttt180 -60.04 -27.3 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.594 ' HA3' ' CZ ' ' B' ' 40' ' ' PHE . . . -99.37 -55.78 1.02 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.197 -1.002 . . . . 0.0 112.391 177.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.539 HG22 ' HB ' ' B' ' 55' ' ' VAL . 33.9 m -65.72 -28.08 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' B' ' 27' ' ' ALA . 72.4 mt -101.88 -57.76 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.32 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 82.8 t -58.54 -42.64 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.188 0.518 . . . . 0.0 111.429 -177.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -98.39 -13.92 20.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.112 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.551 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 69.36 31.92 71.66 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -81.94 138.16 46.5 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.061 -171.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.76 140.73 94.77 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.898 2.399 . . . . 0.0 111.744 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.593 ' HB3' HG11 ' B' ' 51' ' ' VAL . 0.2 OUTLIER -62.76 -22.31 66.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.35 -172.02 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -35.78 66.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.914 -175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -62.33 -52.22 64.52 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.918 0.389 . . . . 0.0 111.399 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.594 ' CZ ' ' HA3' ' B' ' 29' ' ' GLY . 87.9 m-85 -73.09 -43.14 62.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.726 ' HB3' HG23 ' B' ' 51' ' ' VAL . . . -64.48 -56.65 12.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.581 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.7 m -71.36 -34.0 70.07 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.7 t -81.6 -49.92 9.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.63 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.36 -2.31 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 28.79 45.39 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.642 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.613 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 82.0 mt -98.71 154.91 17.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.045 0.45 . . . . 0.0 109.788 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -95.07 156.56 16.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -51.01 -48.24 61.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.169 0.293 . . . . 0.0 111.272 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.16 -28.22 73.29 Favored Glycine 0 N--CA 1.452 -0.259 0 O-C-N 123.583 0.552 . . . . 0.0 113.133 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.58 -39.19 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.154 0.502 . . . . 0.0 110.138 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.726 HG23 ' HB3' ' B' ' 41' ' ' ALA . 98.8 t -72.01 -41.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.04 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.528 ' HA ' HG13 ' B' ' 55' ' ' VAL . 33.8 p -69.27 -28.26 66.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.13 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.32 -42.73 99.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.101 0.476 . . . . 0.0 110.221 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.506 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -67.43 -45.13 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.463 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.539 ' HB ' HG22 ' B' ' 30' ' ' VAL . 7.4 p -64.55 -40.95 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.37 -51.0 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -63.02 -46.85 85.66 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 -44.05 81.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.031 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.526 ' HZ2' ' HD2' ' B' ' 3' ' ' LYS . 69.3 t-105 -64.77 -40.54 95.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.005 0.431 . . . . 0.0 110.527 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.67 96.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.571 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.21 76.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.22 -55.7 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.421 ' HA ' ' OD1' ' B' ' 66' ' ' ASN . 26.9 mt-10 -71.5 -28.83 64.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 111.248 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.96 -36.18 80.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -87.88 3.06 49.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.482 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 63' ' ' GLU . 12.8 m120 -88.92 14.61 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 110.331 176.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.3 tp -113.03 87.01 9.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.26 123.71 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.226 2.617 . . . . 0.0 112.657 -173.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.21 136.96 33.3 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.9 33.77 2.84 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.105 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -140.19 118.49 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.8 152.94 20.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 106.14 14.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.687 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.3 m -88.67 148.14 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.026 0.441 . . . . 0.0 110.806 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.1 m -111.73 131.31 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.936 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.25 158.7 43.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.877 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.772 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 59.2 t -78.96 113.74 18.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 93' ' ' ALA . 63.7 mt -151.03 143.91 16.67 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.758 0.661 . . . . 0.0 109.487 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.0 Cg_exo -63.87 147.86 92.02 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.235 2.623 . . . . 0.0 112.624 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.04 69.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.419 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.76 -39.27 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.418 . . . . 0.0 110.181 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.51 -26.87 61.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.47 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.64 63.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.119 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -53.14 -49.06 67.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.7 mt -76.23 -29.66 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.931 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -36.05 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.447 176.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -66.38 -31.12 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.983 0.421 . . . . 0.0 110.55 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -75.89 -31.69 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.313 0.578 . . . . 0.0 109.858 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.487 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 15.5 m95 -73.39 -18.73 61.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.009 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.51 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 1.1 tm-20 -57.43 -49.3 76.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.342 0.592 . . . . 0.0 109.942 177.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -24.49 44.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.352 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.487 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 15.3 t70 -71.36 -39.57 71.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.9 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . 0.773 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -57.85 -42.54 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.014 0.435 . . . . 0.0 110.604 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -71.65 -36.48 70.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' B' ' 95' ' ' LYS . 0.2 OUTLIER -62.9 -37.9 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.273 -178.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.28 -27.32 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.656 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -94.37 1.52 55.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.49 126.57 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 109.923 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 p -81.99 84.49 6.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' B' ' 100' ' ' LYS . 19.2 ptmt -129.26 -179.1 4.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.746 170.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.41 178.743 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -86.54 85.33 7.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.367 0.603 . . . . 0.0 110.345 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -131.57 144.43 51.08 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.521 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.591 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -116.83 146.04 43.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.343 0.592 . . . . 0.0 110.832 178.107 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 6.6 tp -91.02 174.76 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.809 -168.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -102.29 167.99 9.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 -38.02 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.152 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -59.95 -47.24 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.921 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.497 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 96.4 mt-30 -76.84 -25.31 53.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 0.0 110.701 -178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.64 -42.45 98.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.645 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -62.97 -30.44 71.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.057 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.85 -36.84 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.481 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -74.7 -49.78 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.771 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.6 pt -77.42 -12.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -174.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -47.53 -55.17 9.73 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.6 8.56 68.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.012 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.1 mm? -111.51 133.25 53.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.909 0.385 . . . . 0.0 111.635 -175.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -87.36 84.54 7.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.438 0.637 . . . . 0.0 109.775 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 m -116.9 138.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.008 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.5 145.7 49.68 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.96 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.9 -25.74 44.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.28 0.232 . . . . 0.0 111.212 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.529 ' O ' HG13 ' A' ' 26' ' ' ILE . 33.9 tt0 -59.06 -51.68 69.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -69.39 -31.44 69.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.52 -45.71 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.4 -32.0 70.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 22' ' ' GLN . 74.1 mt -70.03 -50.12 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.276 0.56 . . . . 0.0 109.601 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -63.88 -27.32 69.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.421 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.669 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 71.8 ttt180 -64.01 -28.17 69.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 0.0 110.821 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -105.88 -38.06 2.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.963 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.65 -37.35 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-O 121.172 0.51 . . . . 0.0 111.309 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 10.3 tt -103.45 -33.78 8.95 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.443 -173.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.669 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 88.7 t -89.21 -56.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.605 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.6 t70 -70.98 -35.9 72.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 0.0 109.338 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.591 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 99.63 22.19 12.99 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.676 173.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HG3' ' OD2' ' A' ' 33' ' ' ASP . 58.8 mttp -74.54 139.06 74.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 32.5 Cg_exo -58.5 127.02 23.09 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.19 2.594 . . . . 0.0 112.8 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -50.15 -54.3 21.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.66 -168.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.46 70.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.789 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -66.22 -43.96 85.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 110.268 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.11 -44.39 88.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.865 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -57.43 -56.03 27.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.5 m -64.43 -28.97 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.662 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.6 m -74.0 -46.78 41.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.79 -7.05 53.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.1 22.9 43.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.115 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.09 156.6 16.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -79.86 155.32 27.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -66.62 -27.45 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.93 -45.13 86.28 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.022 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.06 83.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 41' ' ' ALA . 71.0 t -64.9 -45.06 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.424 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.519 ' HA ' HG13 ' A' ' 55' ' ' VAL . 62.7 p -69.62 -32.65 71.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.652 0.263 . . . . 0.0 110.678 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -61.15 -45.21 95.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.147 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' A' ' 23' ' ' THR . . . -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.703 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 52' ' ' SER . 14.3 p -69.12 -37.76 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.612 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -65.83 -50.21 65.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 111.054 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 26.7 tpt180 -61.46 -55.25 33.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.233 -175.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.93 -47.0 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -61.51 -48.17 82.25 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.866 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.28 72.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.044 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.35 87.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 110.773 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -67.13 -45.25 77.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.721 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.3 -39.81 91.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -77.42 2.75 15.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.795 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.54 -1.5 43.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.433 . . . . 0.0 110.079 174.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp 67.32 89.07 0.1 Allowed Pre-proline 0 N--CA 1.465 0.28 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.466 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.6 64.26 8.83 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.085 2.524 . . . . 0.0 111.844 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HG2' ' HD1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -122.74 135.25 54.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.173 -177.793 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.3 43.1 1.04 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.0 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' HD1' ' HG2' ' A' ' 69' ' ' GLU . 40.3 m-85 -84.86 143.97 28.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.011 0.434 . . . . 0.0 110.761 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.76 151.83 37.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.379 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -119.92 129.77 54.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.028 0.442 . . . . 0.0 110.041 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.564 HG23 ' HB2' ' B' ' 78' ' ' LEU . 15.9 m -88.02 128.27 40.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.167 0.508 . . . . 0.0 110.556 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -120.97 113.89 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.753 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.92 163.64 33.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.462 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.77 109.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.791 HD23 ' HB3' ' B' ' 93' ' ' ALA . 56.2 mt -147.31 126.69 6.47 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.791 ' HD3' ' HB2' ' B' ' 93' ' ' ALA . 52.3 Cg_exo -55.73 146.38 66.35 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.836 2.358 . . . . 0.0 112.51 -176.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -53.65 -31.06 45.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.267 -174.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -64.95 -29.81 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.755 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -72.58 -27.48 62.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.779 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.94 -23.84 66.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.338 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.733 ' HD1' HD13 ' A' ' 85' ' ' ILE . 58.4 t80 -53.02 -39.5 63.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.077 174.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.733 HD13 ' HD1' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -83.76 -35.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.87 -38.51 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.074 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -58.06 -33.65 69.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.298 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.18 -28.15 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.182 0.515 . . . . 0.0 110.266 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -82.52 -22.65 34.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.586 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.598 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 33.5 tt0 -61.87 -51.13 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.287 0.565 . . . . 0.0 110.057 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.2 62.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.561 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.74 -44.16 34.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.303 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' B' ' 79' ' ' PRO . . . -68.68 -35.1 76.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.484 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' ' 94' ' ' LYS . 38.2 ttmt -66.5 -32.22 73.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.47 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -69.96 -20.41 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.964 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.84 -5.27 37.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -92.25 -27.58 17.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -96.69 116.89 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 0.0 111.444 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.81 66.95 4.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.779 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -76.46 156.84 32.71 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.339 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.428 -179.215 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtt . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -83.68 67.14 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.002 0.906 . . . . 0.0 109.958 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -136.97 143.18 42.7 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.893 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.624 ' HD3' ' O ' ' B' ' 32' ' ' VAL . 5.7 ppt_? -118.34 151.82 36.98 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.33 0.586 . . . . 0.0 110.6 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.3 171.83 8.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.855 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -98.79 160.56 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.47 -36.55 84.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.27 . . . . 0.0 111.332 -176.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -61.56 -42.13 98.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 90.9 mt-30 -78.17 -26.71 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.601 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.474 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 23.6 mm-40 -59.97 -36.56 77.39 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.81 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' B' ' 9' ' ' GLN . 65.9 mm-40 -64.05 -40.56 96.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.952 0.406 . . . . 0.0 111.286 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.532 -175.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.401 HD12 ' NE2' ' B' ' 11' ' ' GLN . 41.7 pt -116.15 -14.66 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 11' ' ' GLN . 44.8 tt0 -41.96 -61.57 1.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.767 0.827 . . . . 0.0 112.91 -170.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.53 35.38 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.637 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' B' ' 17' ' ' LEU . 3.9 mm? -100.98 146.35 27.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.948 0.404 . . . . 0.0 110.911 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -85.86 83.62 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.673 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -135.26 144.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.481 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.64 141.66 40.8 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.567 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.465 ' HA ' HD11 ' B' ' 24' ' ' ILE . 12.3 pt20 -54.24 -34.8 61.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.526 0.203 . . . . 0.0 111.277 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.522 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.2 mt-30 -62.39 -47.53 83.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.67 68.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.887 0.375 . . . . 0.0 111.082 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' B' ' 21' ' ' GLN . 82.7 mt -68.45 -49.56 64.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.2 0.524 . . . . 0.0 109.992 174.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 42.8 mt-10 -64.51 -29.53 70.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.786 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 22' ' ' GLN . 85.0 mt -71.72 -48.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 0.0 109.715 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -61.5 -28.2 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.665 -176.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.688 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 53.9 ttt180 -62.92 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.717 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -102.57 -43.72 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.624 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.578 HG22 HG11 ' B' ' 51' ' ' VAL . 5.9 t -70.82 -40.78 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.248 0.547 . . . . 0.0 111.57 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.2 tt -104.09 -30.81 10.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.678 -172.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.688 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 99.1 t -96.12 -43.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 11.9 t70 -78.97 -28.03 43.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.592 0.711 . . . . 0.0 109.229 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.526 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 96.22 25.46 12.55 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.245 -0.888 . . . . 0.0 112.22 176.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 125.37 60.11 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-O 120.632 0.253 . . . . 0.0 110.926 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.98 144.56 44.95 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.081 2.521 . . . . 0.0 112.125 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -58.09 -35.31 71.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.112 -173.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.06 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.298 . . . . 0.0 111.02 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.0 m -68.27 -52.47 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.91 -38.57 91.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.17 -174.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' B' ' 51' ' ' VAL . . . -58.54 -51.17 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -65.61 -37.51 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.097 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -61.7 -50.11 73.76 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.28 -12.8 25.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.41 9.44 61.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.374 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.91 155.98 28.78 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.0 p -80.81 155.15 26.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -65.08 -31.85 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.982 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.88 -35.86 92.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.55 -38.45 62.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 110.411 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.578 HG11 HG22 ' B' ' 30' ' ' VAL . 83.6 t -68.48 -43.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.417 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.8 p -69.77 -28.25 65.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -62.99 -40.26 97.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.96 74.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.473 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.48 -36.78 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.211 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.48 -50.64 68.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 0.0 111.699 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.464 ' HA ' ' HD2' ' B' ' 57' ' ' ARG . 20.4 tpt180 -70.01 -49.84 47.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.463 -172.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.52 -45.45 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.54 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -59.61 -48.66 80.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.397 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.6 85.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.268 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 65' ' ' LYS . . . -62.36 -46.74 87.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.336 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.557 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 86.1 t80 -64.15 -40.83 96.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.447 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.38 -38.6 87.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.872 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.2 -27.73 69.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.066 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 61' ' ' ALA . 46.1 mtpt -72.8 -16.2 61.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.13 -13.46 57.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.139 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tt 59.71 90.74 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 123.729 0.643 . . . . 0.0 111.162 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.1 87.8 0.86 Allowed 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.833 2.355 . . . . 0.0 111.601 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.73 111.88 23.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.949 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.95 25.12 2.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.841 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -91.35 149.81 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.67 147.01 27.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -117.83 134.13 55.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 78' ' ' LEU . 33.1 m -95.23 147.4 5.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.071 0.462 . . . . 0.0 110.723 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.5 m -140.95 118.04 11.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.335 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.95 165.4 29.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.887 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.598 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.0 t -81.47 107.99 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.564 ' HB2' HG23 ' A' ' 74' ' ' VAL . 5.7 mp -146.58 127.54 7.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 51.0 Cg_exo -54.62 145.08 61.08 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.506 2.138 . . . . 0.0 111.668 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.75 -17.88 26.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.733 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -56.23 -39.07 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.985 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.415 ' O ' HG21 ' B' ' 86' ' ' VAL . 32.8 mm-40 -72.44 -31.17 65.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.649 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.403 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.92 -24.01 66.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . 0.674 ' HD1' HD11 ' B' ' 85' ' ' ILE . 57.6 t80 -53.45 -39.87 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.335 0.588 . . . . 0.0 110.097 174.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.674 HD11 ' HD1' ' B' ' 84' ' ' TYR . 0.3 OUTLIER -84.43 -38.54 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 82' ' ' GLN . 88.5 t -61.42 -41.71 91.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.148 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -63.97 -21.56 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -81.06 -41.69 22.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -72.29 -18.9 61.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.843 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.61 -38.51 90.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.531 . . . . 0.0 110.73 177.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.32 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.403 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 12.0 t70 -80.02 -35.69 36.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.504 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . 0.791 ' HB3' HD23 ' A' ' 78' ' ' LEU . . . -62.53 -37.02 84.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.406 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -72.63 -25.06 61.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.198 0.523 . . . . 0.0 110.193 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -75.91 -26.21 56.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.058 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 92' ' ' ASP . 68.8 mmtt -62.84 -37.11 85.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.235 0.54 . . . . 0.0 110.018 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -85.84 -31.09 22.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.305 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -118.24 81.13 1.63 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.84 0.829 . . . . 0.0 110.154 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 6.1 m -98.25 88.02 4.06 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.738 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -168.1 1.05 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.684 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 101' ' ' ARG . 37.0 mtp85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.312 -0.851 . . . . 0.0 109.705 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.765 0.317 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -98.21 158.15 15.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.033 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.84 171.46 13.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.715 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 73.0 mtt180 -110.29 150.44 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -171.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 13.7 tp -90.25 130.62 36.35 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 156.43 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.122 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -51.07 -45.2 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.921 0.391 . . . . 0.0 111.208 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -59.62 -47.34 85.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.144 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.87 -38.24 90.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.553 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.77 -44.15 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -44.54 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.519 178.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.99 -43.57 92.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.85 -49.44 74.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.442 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.16 -33.32 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.972 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 42.47 -88.4 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.47 1.106 . . . . 0.0 113.389 170.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.25 32.32 1.04 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -69.63 139.27 53.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 111.39 -176.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 1.5 pm0 -83.72 83.41 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.649 0.738 . . . . 0.0 110.298 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG11 ' HG2' ' A' ' 57' ' ' ARG . 12.7 m -141.66 142.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.941 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 146.65 50.09 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.691 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -54.42 -24.15 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.691 0.396 . . . . 0.0 111.519 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.488 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.5 mm-40 -59.68 -50.82 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 176.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -61.69 -37.83 85.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.474 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.09 -39.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.88 -31.51 71.36 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 22' ' ' GLN . 82.5 mt -64.43 -50.27 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.92 72.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.331 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.602 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 31.1 mtp180 -59.27 -38.87 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.04 0.34 51.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.221 -176.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG12 ' HG3' ' A' ' 37' ' ' GLN . 2.1 t -111.52 -52.18 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 55' ' ' VAL . 3.9 pp -104.44 -27.24 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.826 -177.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 87.6 t -78.67 -42.71 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.374 0.607 . . . . 0.0 109.679 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 25.4 t0 -83.55 -18.12 39.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.881 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.62 26.81 72.96 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.986 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -96.9 149.6 35.91 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.673 0.273 . . . . 0.0 111.024 -176.464 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.607 ' HB2' ' HG1' ' A' ' 39' ' ' THR . 82.1 Cg_exo -48.71 120.8 5.66 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.318 2.679 . . . . 0.0 112.527 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.516 ' HG3' HG12 ' A' ' 30' ' ' VAL . 1.7 mp0 -57.46 -35.03 69.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.618 -175.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.334 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.607 ' HG1' ' HB2' ' A' ' 36' ' ' PRO . 1.9 m -65.42 -40.8 93.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 22.8 t80 -66.66 -40.13 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.426 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.683 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -61.75 -50.0 74.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.647 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -60.69 -33.95 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.904 0.383 . . . . 0.0 111.216 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' HB3' HD11 ' A' ' 44' ' ' LEU . 8.4 t -73.29 -51.47 17.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.912 -173.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 43' ' ' SER . 7.8 mp -94.13 3.04 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 36.78 37.0 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.673 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.683 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 61.6 mt -99.37 158.76 15.5 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -100.01 157.01 16.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.64 -52.13 32.88 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.52 -43.34 97.65 Favored Glycine 0 C--O 1.227 -0.313 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.87 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.21 81.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 111.101 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' A' ' 41' ' ' ALA . 95.4 t -68.2 -41.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 110.798 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -66.49 -29.72 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.773 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.53 -41.87 96.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.77 89.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.532 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.754 ' HA ' HD21 ' A' ' 31' ' ' LEU . 9.8 p -68.33 -40.39 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.337 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -66.18 -49.77 66.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 0.0 111.301 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HG2' HG11 ' A' ' 19' ' ' VAL . 6.4 tpt180 -58.18 -49.72 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.656 -174.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HB ' HD22 ' A' ' 31' ' ' LEU . 86.0 t -74.46 -46.58 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.427 -176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.456 ' CZ3' ' HB2' ' A' ' 5' ' ' LEU . 17.4 t-105 -61.44 -41.32 97.02 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.058 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.48 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.239 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.57 -33.2 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 110.775 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.09 -41.88 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.675 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -71.82 -46.87 56.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.48 -7.51 53.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.502 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -62.51 -24.24 67.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.17 8.83 7.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.379 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.2 mt -122.86 73.99 46.12 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 110.766 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.58 -24.92 5.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.088 2.526 . . . . 0.0 113.054 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -130.1 132.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.747 0.308 . . . . 0.0 110.227 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.89 -22.94 34.35 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.52 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.73 118.38 30.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.672 -0.311 . . . . 0.0 110.165 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.17 154.87 36.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.577 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 37.4 ptt180 -86.63 110.1 19.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.285 0.564 . . . . 0.0 110.209 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' B' ' 75' ' ' THR . 29.3 m -87.66 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.975 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.3 m -117.37 119.4 34.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 111.205 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HA ' ' HG2' ' B' ' 90' ' ' GLU . . . -132.85 149.51 52.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.779 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 90.2 t -77.83 122.0 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.172 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.474 HD11 ' HG2' ' A' ' 82' ' ' GLN . 51.5 mt -154.72 137.45 10.17 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.1 152.31 38.22 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.476 2.118 . . . . 0.0 112.182 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.9 -22.73 64.63 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.838 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.71 -41.18 98.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.474 ' HG2' HD11 ' A' ' 78' ' ' LEU . 7.1 tp60 -72.44 -32.25 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.805 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.449 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.41 -24.93 66.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.537 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -52.85 -45.81 67.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -84.5 -29.43 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.571 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.524 HG12 ' HB ' ' B' ' 74' ' ' VAL . 92.4 t -62.64 -37.69 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.158 176.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.04 -31.95 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.949 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.75 -43.76 19.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.9 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -60.1 -36.52 77.62 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.42 -44.68 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.0 109.916 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.5 73.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.558 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.535 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 24.6 t70 -67.47 -35.46 79.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.628 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -64.4 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.363 0.601 . . . . 0.0 110.426 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.1 -27.04 48.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.949 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.671 ' HG3' ' HB3' ' A' ' 100' ' ' LYS . 2.2 ttpm? -73.61 -15.32 61.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.391 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 64.5 mttm -76.67 -11.22 59.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.532 0.682 . . . . 0.0 109.715 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.34 -50.78 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.275 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.08 138.53 39.6 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -78.7 58.66 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.542 0.687 . . . . 0.0 112.179 -170.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.671 ' HB3' ' HG3' ' A' ' 95' ' ' LYS . 12.8 tmtt? -101.63 133.18 46.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.478 ' N ' ' HD3' ' A' ' 100' ' ' LYS . 55.6 mtt180 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.634 -0.698 . . . . 0.0 109.805 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.002 0.43 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.08 147.89 23.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -66.1 162.68 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.417 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.87 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 94.7 mtt180 -104.55 138.87 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.673 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.73 137.04 32.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.2 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -75.94 156.79 33.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.91 -30.65 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.075 0.464 . . . . 0.0 110.02 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -65.91 -48.77 70.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.96 -35.58 80.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.526 ' CZ ' HG21 ' B' ' 24' ' ' ILE . 67.1 t80 -62.76 -42.97 99.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.489 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -46.17 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.611 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.46 -42.15 92.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.83 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.771 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.5 pt -83.31 -39.08 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.909 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 33.08 -90.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.775 1.23 . . . . 0.0 113.692 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.89 34.97 2.04 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.13 160.15 20.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.733 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.78 83.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.877 0.846 . . . . 0.0 109.604 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -130.23 132.57 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.66 147.64 43.87 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.879 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.02 -23.88 66.65 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.631 ' HA ' ' HB3' ' B' ' 25' ' ' GLU . 20.0 mt-30 -77.93 -30.41 50.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.917 174.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.646 HG23 ' HA ' ' B' ' 54' ' ' ALA . 21.1 m -62.99 -39.01 93.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 172.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' B' ' 10' ' ' PHE . 75.2 mt -67.86 -45.32 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.349 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.631 ' HB3' ' HA ' ' B' ' 22' ' ' GLN . 3.0 tt0 -55.82 -41.21 73.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.65 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' B' ' 51' ' ' VAL . 80.3 mt -72.89 -50.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.675 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.7 71.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.887 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.673 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 16.6 mtp180 -54.14 -29.51 45.51 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 112.032 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -108.04 -35.53 2.53 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.087 -1.054 . . . . 0.0 111.539 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' B' ' 37' ' ' GLN . 4.0 t -70.15 -51.66 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.695 HD23 ' HA ' ' B' ' 55' ' ' VAL . 3.9 pp -107.53 -23.05 12.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.129 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.673 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.3 t -81.42 -50.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.835 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.458 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 28.3 t70 -80.85 -18.41 47.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.449 0.642 . . . . 0.0 109.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.87 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 68.5 41.45 84.64 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.75 -1.114 . . . . 0.0 113.283 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -106.76 152.27 40.78 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.3 124.08 5.98 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.101 2.534 . . . . 0.0 111.924 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.66 ' HG3' HG12 ' B' ' 30' ' ' VAL . 2.0 mp0 -60.07 -31.83 70.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.578 -171.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.556 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -63.3 -42.33 99.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.57 -34.9 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.842 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -56.87 -44.61 82.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.167 173.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.9 m -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.434 ' HB3' HD21 ' B' ' 44' ' ' LEU . 45.1 t -69.33 -56.1 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.177 -173.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.566 ' HB2' ' HG ' ' B' ' 46' ' ' LEU . 2.4 mm? -91.76 5.97 47.77 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.646 -172.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.53 34.83 74.05 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.242 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.842 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 62.5 mt -86.14 155.64 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.26 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -91.25 158.82 16.37 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.61 -43.78 93.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -61.98 -41.61 99.68 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.411 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.95 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.615 0.245 . . . . 0.0 111.111 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.61 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.0 t -61.91 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.7 t -67.07 -33.62 75.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 6.5 tp60 -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.341 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.646 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.39 -42.84 92.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.71 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.695 ' HA ' HD23 ' B' ' 31' ' ' LEU . 13.1 p -69.21 -36.29 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.3 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -65.99 -50.91 62.63 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.602 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -60.7 -56.97 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.359 -172.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.521 ' HB ' HD21 ' B' ' 31' ' ' LEU . 96.7 t -66.53 -41.08 87.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.6 0.238 . . . . 0.0 111.441 -174.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -65.67 -36.25 83.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.077 0.465 . . . . 0.0 110.282 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.93 77.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.648 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.351 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -61.53 -45.73 92.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.4 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -61.49 -46.19 91.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.285 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.45 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.427 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -65.34 -29.09 69.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 110.791 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . 0.425 ' C ' ' HD3' ' B' ' 68' ' ' PRO . 92.7 m-20 -73.97 -4.61 36.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.059 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 97.8 mt -117.88 74.76 9.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.193 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' B' ' 66' ' ' ASN . 18.9 Cg_endo -93.9 32.41 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.523 2.815 . . . . 0.0 112.684 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.63 112.96 3.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.12 -7.59 76.9 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.114 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 118.37 36.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.17 154.11 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.192 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 27.4 ptt180 -96.99 114.41 26.02 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.543 0.687 . . . . 0.0 109.187 174.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.524 ' HB ' HG12 ' A' ' 86' ' ' VAL . 31.2 m -86.45 145.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.053 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 73' ' ' ARG . 41.5 m -129.48 132.73 46.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.62 153.94 36.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.017 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.628 ' HB ' ' HB3' ' A' ' 93' ' ' ALA . 46.3 t -79.14 116.04 22.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.886 0.374 . . . . 0.0 110.379 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 77' ' ' VAL . 1.1 mt -151.15 134.28 8.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.75 147.01 90.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.517 2.145 . . . . 0.0 111.287 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . 0.713 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 47.4 mt-10 -62.38 -19.55 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.252 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -67.34 -39.89 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 109.883 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -73.38 -41.74 62.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.426 0.631 . . . . 0.0 109.572 172.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -59.72 -22.72 62.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -51.58 -45.01 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.168 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 mt -83.8 -30.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.39 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.482 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 59.8 t -63.45 -37.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.126 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -60.52 -32.51 71.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.769 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -46.1 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.482 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 19.2 m0 -63.88 -28.6 69.95 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.656 178.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.711 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 3.7 tm-20 -55.6 -51.99 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.701 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.89 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 22.0 t70 -64.75 -39.36 93.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.043 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' B' ' 90' ' ' GLU . 47.5 mttp -63.42 -42.14 98.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.15 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' B' ' 95' ' ' LYS . 27.9 ttpt -65.81 -33.67 76.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.318 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.34 -19.69 66.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 111.414 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -88.76 -13.79 38.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.21 0.529 . . . . 0.0 109.976 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -99.02 152.8 19.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.461 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -82.82 76.87 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.349 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -138.86 127.64 23.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.25 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 36.1 mtt180 . . . . . 0 C--O 1.254 1.315 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.013 176.018 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.24 134.89 2.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.449 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -127.73 164.72 21.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.719 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -118.31 169.51 9.67 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.269 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' HG ' ' HZ3' ' A' ' 59' ' ' TRP . 14.0 mt -135.12 169.06 18.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.545 0.688 . . . . 0.0 112.711 -170.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.62 162.23 13.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.193 171.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -46.7 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.567 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.16 -29.21 66.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.203 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.634 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 73.5 t80 -65.8 -44.58 85.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.428 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -27.43 61.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.481 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.57 -35.01 70.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.579 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.28 84.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.517 ' HB ' HG23 ' A' ' 19' ' ' VAL . 4.9 pt -81.51 -7.48 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -73.38 118.12 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.47 0.48 67.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.123 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -106.73 155.98 19.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 110.671 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.78 84.48 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.471 0.653 . . . . 0.0 109.496 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.517 HG23 ' HB ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -120.78 128.77 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.916 -178.355 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.79 168.24 41.27 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.409 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.15 -36.78 71.14 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.255 0.622 . . . . 0.0 111.832 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.667 0.27 . . . . 0.0 110.998 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -43.07 77.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.287 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mt -70.06 -46.73 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.971 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -66.63 -31.95 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.0 -46.34 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.086 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.634 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -68.13 -19.27 64.81 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.718 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 8.9 ttm-85 -63.93 -29.36 70.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.125 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.78 -38.91 2.44 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.843 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG12 ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -70.14 -41.29 78.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 122.923 0.489 . . . . 0.0 111.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' HE3' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -94.5 -62.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.403 -178.152 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 21.4 t -54.14 -54.07 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.005 0.522 . . . . 0.0 112.253 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -22.72 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 0.0 110.205 -178.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.719 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 78.75 31.03 45.89 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.159 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -78.61 149.2 74.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.453 0.168 . . . . 0.0 110.861 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.78 136.29 44.96 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.803 2.336 . . . . 0.0 112.545 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.523 ' HG3' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -66.52 -32.07 73.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.238 -176.077 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.43 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.365 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -36.61 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.603 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -39.96 94.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.597 ' HB1' HG23 ' A' ' 51' ' ' VAL . . . -66.65 -44.26 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.194 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -66.93 -42.61 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.811 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.0 m -70.78 -50.32 37.06 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.55 -9.58 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.53 33.82 24.19 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.49 166.75 10.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.104 0.478 . . . . 0.0 110.376 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.49 155.03 22.36 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -68.42 -37.23 80.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.432 0.158 . . . . 0.0 111.092 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.61 -30.26 74.68 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.539 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.03 69.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.622 0.249 . . . . 0.0 111.013 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG23 ' HB1' ' A' ' 41' ' ' ALA . 75.8 t -66.32 -40.77 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 m -70.41 -24.66 62.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.472 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.52 -34.04 71.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.708 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.33 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.748 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' HG12 ' A' ' 30' ' ' VAL . 7.5 p -67.76 -36.57 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -48.02 75.27 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.355 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -56.3 22.42 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.567 0.542 . . . . 0.0 112.349 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.82 -35.23 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 3' ' ' LYS . 39.9 t-105 -69.41 -36.24 76.52 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.134 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.09 91.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.59 98.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.91 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 66' ' ' ASN . 78.3 t80 -61.44 -51.83 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.221 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.45 -38.26 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.327 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.64 -41.5 83.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.84 -15.16 52.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.967 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -93.35 -3.87 52.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.576 0.227 . . . . 0.0 111.341 -178.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -49.11 16.71 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.46 105.53 0.36 Allowed 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 122.174 1.916 . . . . 0.0 111.893 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -141.78 120.91 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.228 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.01 -21.22 47.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.411 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -96.92 131.81 43.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.0 135.0 50.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.634 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.75 112.06 24.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.294 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.805 HG23 ' HB2' ' B' ' 78' ' ' LEU . 32.6 m -87.73 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.027 0.441 . . . . 0.0 110.589 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.729 HG21 ' HD3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.22 133.32 45.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.712 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -143.73 152.15 40.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.58 111.15 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.695 ' HB2' HG21 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -155.36 148.38 18.2 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.636 -176.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.79 146.26 96.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.883 2.389 . . . . 0.0 112.944 -178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.76 -25.87 65.83 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.785 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -68.79 -31.87 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.805 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -26.25 61.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.422 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.84 60.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.032 0.533 . . . . 0.0 112.13 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -52.35 -47.06 66.31 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 173.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.991 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.47 -30.52 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -64.18 -29.12 70.25 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 111.09 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -38.54 48.25 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.094 0.473 . . . . 0.0 110.159 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 39.9 m0 -72.19 -24.1 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.029 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.552 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 57.0 tt0 -70.53 -38.57 74.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 175.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.81 76.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.397 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.68 -37.34 82.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.091 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.35 68.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.655 0.264 . . . . 0.0 111.011 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -40.26 94.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 0.0 109.989 173.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -78.16 -8.59 58.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.553 177.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 100' ' ' LYS . 6.4 tttp -81.41 -19.44 42.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 0.0 110.117 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.3 -33.59 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.143 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.94 126.54 41.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.173 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.98 44.99 15.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.912 0.757 . . . . 0.0 111.796 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 17.1 mttt -136.23 138.91 42.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.279 178.892 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.142 0.496 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.28 72.19 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.305 0.574 . . . . 0.0 110.406 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -76.28 132.18 39.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.008 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.628 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.0 OUTLIER -111.61 170.18 8.31 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.51 -173.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.38 172.67 10.44 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.368 0.604 . . . . 0.0 112.517 -171.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 p -98.97 155.72 17.28 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.007 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.437 ' HG3' HG12 ' B' ' 32' ' ' VAL . 2.7 mp0 -67.2 -24.21 65.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.845 0.355 . . . . 0.0 110.767 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -50.15 58.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.317 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -77.93 -22.94 48.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.91 0.386 . . . . 0.0 110.587 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.566 ' HE1' ' HB1' ' B' ' 27' ' ' ALA . 73.2 t80 -62.46 -38.04 88.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.467 175.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -65.4 -45.94 81.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -34.86 78.21 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.662 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.36 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.406 HG22 HG12 ' B' ' 24' ' ' ILE . 12.4 pt -81.81 -11.89 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 107.05 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.213 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.29 0.39 61.41 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.478 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -89.91 146.11 24.64 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.175 0.512 . . . . 0.0 111.176 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.11 83.76 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.344 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.39 146.36 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.088 -177.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.08 156.46 45.59 Favored Glycine 0 N--CA 1.435 -1.414 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.064 172.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -63.42 -23.51 67.43 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.539 0.335 . . . . 0.0 111.419 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -65.07 -48.28 74.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.994 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.444 HG21 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.24 -35.72 81.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.406 HG12 HG22 ' B' ' 14' ' ' ILE . 57.6 mt -69.35 -41.28 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.14 -32.6 74.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.61 HG23 ' HA ' ' B' ' 51' ' ' VAL . 64.7 mt -71.85 -49.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.275 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.566 ' HB1' ' HE1' ' B' ' 10' ' ' PHE . . . -67.25 -19.82 65.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.162 -176.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.487 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -65.94 -34.13 77.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.888 176.071 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -99.36 -28.59 7.52 Favored Glycine 0 C--O 1.223 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.507 HG12 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -79.08 -42.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -177.367 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -97.22 -60.93 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.54 -177.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 14.5 t -60.52 -50.65 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.537 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 35.8 t0 -74.77 -50.28 17.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.628 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 109.2 49.77 0.75 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.621 175.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.4 137.6 19.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.586 0.232 . . . . 0.0 110.71 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.91 149.44 91.48 Favored 'Trans proline' 0 C--O 1.24 0.579 0 C-N-CA 123.105 2.537 . . . . 0.0 112.607 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.416 ' HA ' HG11 ' B' ' 51' ' ' VAL . 6.0 mp0 -62.36 -41.64 98.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.454 -173.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.77 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -39.18 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.936 -177.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -35.16 77.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.803 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.95 -50.56 68.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -43.01 73.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.3 m -76.63 -42.6 41.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -12.14 41.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.02 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.148 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.519 HD11 HG23 ' B' ' 51' ' ' VAL . 2.1 mt -112.85 166.02 11.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 155.06 25.21 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -63.73 -40.4 96.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.164 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -31.08 68.33 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.797 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.46 -45.91 67.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.987 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.61 ' HA ' HG23 ' B' ' 26' ' ' ILE . 48.2 t -62.23 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.905 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -71.63 -25.96 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.822 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.55 -37.59 71.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.514 0.197 . . . . 0.0 110.563 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.444 ' HB2' HG21 ' B' ' 23' ' ' THR . . . -66.04 -43.12 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.14 -177.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.507 ' HB ' HG12 ' B' ' 30' ' ' VAL . 2.2 p -65.61 -45.11 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -43.12 84.14 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -64.21 -50.02 69.67 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.21 -39.55 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -64.5 -40.01 94.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.591 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.46 80.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.969 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' B' ' 17' ' ' LEU . . . -70.56 -39.32 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.37 -40.51 93.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.69 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.04 -35.18 76.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.93 -39.4 72.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.033 0.444 . . . . 0.0 110.708 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -79.97 2.07 24.99 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.54 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.58 -5.31 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.527 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.22 -48.99 1.5 Allowed Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -70.01 78.47 1.09 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 122.284 1.99 . . . . 0.0 112.551 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.34 118.26 23.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.372 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 -56.93 2.93 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.289 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.68 146.04 27.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.437 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.25 165.75 18.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.651 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.729 ' HD3' HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -123.16 115.32 21.58 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.678 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.695 HG21 ' HB2' ' A' ' 78' ' ' LEU . 14.2 m -85.54 131.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.314 0.578 . . . . 0.0 111.247 -176.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.65 126.07 54.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.886 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.77 155.26 41.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.617 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.552 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 95.5 t -77.56 120.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.805 ' HB2' HG23 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -158.85 147.36 14.04 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 123.803 0.689 . . . . 0.0 109.281 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.89 157.05 45.33 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.629 2.219 . . . . 0.0 113.386 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.74 63.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.948 -175.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.216 0.531 . . . . 0.0 110.447 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.33 61.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.164 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.576 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -63.71 -23.75 67.5 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.15 -50.19 73.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.186 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.662 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.712 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.7 t -65.25 -37.01 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.011 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -68.75 -26.93 65.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.199 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -35.72 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.134 0.492 . . . . 0.0 110.089 175.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -72.82 -18.52 61.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.37 -51.86 66.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.297 0.57 . . . . 0.0 110.891 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.02 44.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.9 -40.26 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.472 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.83 -28.86 62.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -69.51 -40.7 76.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.102 0.477 . . . . 0.0 110.045 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -70.3 -23.22 62.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -65.79 -26.26 67.62 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.389 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -106.86 -32.87 7.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.5 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.95 121.9 30.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.042 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.26 33.67 20.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' B' ' 100' ' ' LYS . 0.9 OUTLIER -139.76 115.02 9.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 mtm105 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.873 177.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.97 27.3 7.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.847 ' HB2' ' HH2' ' A' ' 59' ' ' TRP . 83.1 mttt -89.17 162.61 15.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -119.95 132.02 55.38 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 28.7 mt -100.93 160.05 14.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.9 p -103.74 170.55 7.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.145 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.15 -41.07 91.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.086 0.403 . . . . 0.0 110.574 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 p -62.7 -45.08 94.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -78.0 -23.92 48.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.996 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -68.64 -34.27 75.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.065 0.459 . . . . 0.0 110.142 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -62.31 -26.38 68.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.485 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -71.6 -43.53 66.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -66.96 -22.13 65.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.408 -174.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.414 HG21 HG21 ' A' ' 24' ' ' ILE . 37.4 pt -109.85 -10.43 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -46.9 -68.83 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.23 31.17 8.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.55 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.93 132.85 52.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.675 0.274 . . . . 0.0 110.875 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -84.35 83.23 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.186 0.517 . . . . 0.0 109.653 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.408 HG21 HD11 ' A' ' 24' ' ' ILE . 3.2 m -127.3 133.58 67.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.417 -177.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.26 151.24 50.27 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.66 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 2.8 pt20 -48.77 -43.99 38.34 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 26' ' ' ILE . 24.2 mm-40 -58.39 -40.72 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.082 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 m -62.09 -41.88 98.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.251 0.548 . . . . 0.0 110.153 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.414 HG21 HG21 ' A' ' 14' ' ' ILE . 72.3 mt -69.82 -51.52 39.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.276 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 47.3 mt-10 -62.52 -26.34 68.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.893 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 75.0 mt -69.54 -50.67 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-O 121.027 0.442 . . . . 0.0 109.828 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . . . -65.98 -25.39 67.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.941 -174.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.542 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 48.9 ttt180 -66.79 -29.82 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.89 10.8 27.41 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.542 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.666 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 2.1 t -112.61 -52.29 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.583 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD22 HG23 ' A' ' 55' ' ' VAL . 78.7 mt -82.83 -42.46 17.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.347 0.594 . . . . 0.0 110.855 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 21.2 t -74.45 -25.3 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.243 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.462 ' OD2' ' HG3' ' A' ' 36' ' ' PRO . 37.0 t70 -96.67 -14.82 21.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.73 30.82 2.91 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.926 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 39.0 tttm 65.19 55.02 1.18 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 168.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.666 ' HD2' ' HA ' ' A' ' 30' ' ' VAL . 86.5 Cg_endo -97.74 57.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.089 2.526 . . . . 0.0 111.365 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -55.39 -46.78 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.56 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.97 90.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -64.86 -47.51 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.729 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 26' ' ' ILE . 28.7 t80 -65.57 -41.17 93.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.937 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.557 ' HB3' HG21 ' A' ' 51' ' ' VAL . . . -58.61 -55.74 31.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.827 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 m -65.98 -26.24 67.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.99 0.424 . . . . 0.0 111.171 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 t -66.97 -47.62 71.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -92.61 -11.64 33.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.368 . . . . 0.0 111.507 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.19 64.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.789 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 HD11 HD12 ' A' ' 26' ' ' ILE . 95.9 mt -82.39 157.15 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.81 155.98 23.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.119 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.59 -45.56 70.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.86 94.4 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.243 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.13 93.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.138 0.469 . . . . 0.0 110.651 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 41' ' ' ALA . 69.4 t -63.25 -35.18 71.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.489 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.709 ' HA ' HG13 ' A' ' 55' ' ' VAL . 33.2 m -72.79 -30.01 63.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.41 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.74 -45.92 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.06 79.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 52' ' ' SER . 7.5 p -64.42 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.742 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.15 -46.68 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.26 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -61.31 -53.9 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.073 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.74 -43.11 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.197 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.847 ' HH2' ' HB2' ' A' ' 3' ' ' LYS . 72.3 t-105 -63.58 -43.77 96.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.627 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -62.59 -37.51 86.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 90.5 t80 -71.47 -49.51 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.47 -32.01 73.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.204 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -78.4 -26.15 46.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 55.7 tttm -66.63 -39.94 88.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.196 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.492 ' C ' HD21 ' A' ' 66' ' ' ASN . 0.3 OUTLIER -96.35 12.46 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.897 0.379 . . . . 0.0 111.672 -179.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.1 tt -90.62 121.45 68.27 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.16 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 12.5 Cg_exo -71.49 117.8 5.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.241 2.628 . . . . 0.0 112.284 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -103.77 137.06 42.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.046 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.89 -63.61 1.82 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -121.93 118.69 29.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.58 150.78 44.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.646 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.455 HH11 ' HB ' ' B' ' 77' ' ' VAL . 22.8 mmm180 -92.48 107.32 19.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.65 142.7 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.564 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 m -125.64 120.93 32.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.749 -175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.33 151.57 40.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.757 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 7.3 p -84.3 134.47 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' A' ' 79' ' ' PRO . 21.9 tp -173.31 131.83 0.59 Allowed Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.469 ' HD2' HD13 ' A' ' 78' ' ' LEU . 73.9 Cg_exo -51.36 145.81 26.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.584 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.71 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.924 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -55.77 -42.7 75.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.254 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.45 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.9 mp0 -71.75 -28.42 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.198 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.29 -24.26 64.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -52.55 -47.64 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.972 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 mt -84.42 -30.37 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.267 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -59.79 -38.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.143 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.8 -32.24 70.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.345 . . . . 0.0 110.772 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -77.11 -36.17 55.81 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -70.05 -34.98 73.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.44 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG2' HG13 ' B' ' 77' ' ' VAL . 13.8 tm-20 -62.68 -36.13 81.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 177.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -39.2 77.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.29 -49.29 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.782 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.8 ' HB2' HG11 ' B' ' 77' ' ' VAL . . . -67.56 -29.14 68.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 0.0 110.628 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.06 -34.81 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.49 -17.84 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.393 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -68.9 -10.98 60.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.194 0.521 . . . . 0.0 110.47 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -119.0 -43.82 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.513 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.49 113.98 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.484 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -119.13 109.66 16.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.021 -174.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -102.68 179.11 4.38 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.353 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.381 -0.818 . . . . 0.0 110.575 175.256 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.832 0.348 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.94 91.08 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.231 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -115.71 174.64 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 4' ' ' ARG . 9.5 ttm180 -127.85 152.9 47.25 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.668 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 30.6 mt -119.92 158.72 26.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.909 0.385 . . . . 0.0 110.632 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.7 p -102.88 170.72 7.81 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.07 -31.56 72.0 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.594 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -62.06 -49.32 76.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.836 0.35 . . . . 0.0 110.752 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.67 -32.67 68.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.467 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 77.7 t80 -63.24 -47.69 81.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.169 0.509 . . . . 0.0 109.958 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -37.29 76.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.781 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.07 -39.43 86.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.85 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.489 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -75.42 -36.07 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.144 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.7 pt -93.01 -10.25 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -36.18 -57.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 113.625 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.47 37.48 3.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.675 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 13' ' ' ALA . 3.2 mm? -116.51 139.19 50.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 111.605 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -85.09 83.63 7.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.698 HG22 HD13 ' B' ' 24' ' ' ILE . 4.7 m -120.58 140.96 43.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.584 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 159.97 39.5 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 114.252 -1.34 . . . . 0.0 111.842 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.69 -33.26 64.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.213 -0.493 . . . . 0.0 112.186 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.81 -48.12 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -32.88 65.34 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.698 HD13 HG22 ' B' ' 19' ' ' VAL . 74.0 mt -68.54 -51.21 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.463 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.36 -29.79 71.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.982 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.435 ' HA ' ' CE1' ' B' ' 40' ' ' PHE . 83.1 mt -71.52 -48.82 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 109.785 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.467 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -63.54 -27.12 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.582 -175.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.596 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 57.0 ttt85 -64.03 -41.85 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.471 176.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.44 5.53 60.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.702 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.691 HG11 ' HB ' ' B' ' 55' ' ' VAL . 1.5 t -113.12 -52.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 120.54 0.209 . . . . 0.0 111.172 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.416 HD21 HG22 ' B' ' 55' ' ' VAL . 72.5 mt -84.64 -50.52 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.118 0.485 . . . . 0.0 110.778 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.668 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.2 t -69.37 -26.87 32.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.966 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -89.16 -15.95 32.55 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.34 -172.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.416 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . 111.25 25.78 4.87 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.801 -1.19 . . . . 0.0 113.609 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.572 ' N ' ' HD3' ' B' ' 36' ' ' PRO . 53.7 tttm 67.08 56.19 0.82 Allowed Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 123.783 0.833 . . . . 0.0 112.938 172.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' B' ' 35' ' ' LYS . 61.3 Cg_endo -99.62 53.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.806 . . . . 0.0 111.153 172.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -55.18 -43.79 74.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.235 -173.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.276 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -69.56 -43.49 72.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.952 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 21.6 t80 -65.77 -41.71 91.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.352 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.34 -55.45 33.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.122 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -68.69 -35.37 77.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.796 0.331 . . . . 0.0 111.287 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -62.03 -47.52 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.939 -175.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.94 -6.69 38.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.74 33.32 34.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.99 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -98.35 153.28 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.847 0.356 . . . . 0.0 110.243 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -73.88 154.43 39.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.454 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.68 -44.74 96.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.11 91.63 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.681 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.91 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.691 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.71 -41.98 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.438 ' HA ' HG12 ' B' ' 55' ' ' VAL . 16.1 m -72.07 -25.18 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.04 -45.95 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.96 94.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.622 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.691 ' HB ' HG11 ' B' ' 30' ' ' VAL . 6.9 p -63.85 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.989 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -65.35 -42.37 92.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -61.87 -54.07 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.02 -40.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -63.6 -43.01 98.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.919 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.56 84.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.892 0.377 . . . . 0.0 110.414 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' B' ' 65' ' ' LYS . . . -63.64 -35.91 82.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 177.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -71.14 -50.62 31.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.503 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.08 -40.74 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.601 -175.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.5 -18.1 58.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.107 0.48 . . . . 0.0 110.915 -176.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' B' ' 61' ' ' ALA . 63.2 tttm -70.33 -32.47 70.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 109.754 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . 0.408 ' C ' HD21 ' B' ' 66' ' ' ASN . 0.3 OUTLIER -117.65 44.53 2.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.693 176.571 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 tt -113.58 110.0 50.31 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.158 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . 0.531 ' HB2' ' HB2' ' B' ' 72' ' ' ALA . 9.3 Cg_exo -71.35 126.77 12.59 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.919 2.413 . . . . 0.0 112.387 -178.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -112.53 139.04 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.84 -65.85 3.68 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.803 -176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.78 118.64 32.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' B' ' 68' ' ' PRO . . . -151.16 157.24 42.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.893 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.508 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 89.5 mtt-85 -92.69 112.39 24.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 m -85.35 127.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -121.02 119.23 31.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.98 169.31 24.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.926 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.8 HG11 ' HB2' ' A' ' 93' ' ' ALA . 14.5 p -88.78 137.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -165.64 132.81 2.23 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -172.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.96 137.9 61.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.181 2.587 . . . . 0.0 112.794 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 0.2 OUTLIER -62.42 -29.66 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.307 -169.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -63.66 -49.49 72.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.683 0.277 . . . . 0.0 110.918 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.05 -29.51 64.23 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' B' ' 80' ' ' GLU . . . -66.1 -24.68 66.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.419 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -53.07 -50.6 64.05 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.396 0.617 . . . . 0.0 109.692 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -70.74 -32.35 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.931 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.12 -42.3 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.733 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -70.21 -23.29 62.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -77.08 -37.94 53.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.555 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 26.3 m0 -68.2 -20.12 64.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.634 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.757 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 8.1 tm-20 -61.86 -43.11 99.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -28.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.409 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.555 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 13.5 t70 -67.84 -48.38 66.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.603 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' B' ' 96' ' ' LYS . . . -66.66 -29.8 69.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.017 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.25 -35.01 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.08 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.424 ' HA ' ' CB ' ' B' ' 98' ' ' GLU . 38.6 ttpt -67.94 -15.62 63.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.969 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' B' ' 93' ' ' ALA . 14.3 mptt -65.03 -21.3 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.027 0.442 . . . . 0.0 110.734 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.36 5.19 23.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.251 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.514 ' CD ' ' HE3' ' B' ' 100' ' ' LYS . 36.7 tt0 -96.7 138.73 33.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.3 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -133.51 88.57 2.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.983 0.421 . . . . 0.0 111.368 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.514 ' HE3' ' CD ' ' B' ' 98' ' ' GLU . 92.2 mttt -96.07 165.23 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.378 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.298 173.479 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -97.24 172.56 7.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.536 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 3.8 mptp? -93.38 170.93 9.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.175 0.512 . . . . 0.0 111.839 -171.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.64 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 1.7 mpp_? -98.18 157.45 16.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.665 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.0 tp -103.1 147.64 26.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -173.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -94.1 156.01 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 119.613 -0.232 . . . . 0.0 111.055 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -50.93 -45.28 60.48 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.3 t -60.28 -53.51 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.592 0.234 . . . . 0.0 110.851 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -61.34 -39.5 90.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.225 0.536 . . . . 0.0 109.954 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.3 t80 -59.32 -48.26 82.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.046 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -68.87 -41.83 77.83 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.68 -38.56 87.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.141 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.54 74.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 10' ' ' PHE . 31.1 pt -72.34 -29.14 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.857 0.361 . . . . 0.0 111.757 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.58 102.14 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.297 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.48 -20.11 5.56 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.486 -176.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.97 132.48 46.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.62 84.4 5.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 0.0 109.776 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.5 m -120.9 143.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.736 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.93 145.07 47.57 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.122 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 64.0 tt0 -54.27 -39.95 67.35 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.505 0.322 . . . . 0.0 111.187 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.611 ' O ' HG13 ' A' ' 26' ' ' ILE . 69.0 mt-30 -60.37 -42.5 95.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.313 -0.155 . . . . 0.0 110.898 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -59.4 -41.41 89.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.479 0.657 . . . . 0.0 109.929 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.57 -47.71 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.765 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 18.2 mm-40 -60.44 -31.26 70.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.622 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.645 HG23 ' HA ' ' A' ' 51' ' ' VAL . 81.4 mt -67.81 -50.89 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -65.64 -26.79 67.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.84 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.508 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 51.6 ttt85 -58.73 -28.6 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.742 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -107.02 -42.73 1.49 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.675 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.83 -28.23 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 C-N-CA 123.005 0.522 . . . . 0.0 111.76 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD22 HG22 ' A' ' 55' ' ' VAL . 37.9 mt -110.72 -33.58 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 12.0 t -97.58 -29.5 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 36.4 t70 -92.95 -8.73 42.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.108 0.48 . . . . 0.0 111.347 -171.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.519 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 112.64 17.54 7.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.881 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 tttm 68.0 70.25 0.44 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 166.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.75 -15.27 13.57 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.137 2.558 . . . . 0.0 112.079 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 60.32 -113.02 0.57 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.07 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -28.46 67.49 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -169.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.22 -34.73 72.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.419 . . . . 0.0 110.719 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 34.3 t80 -68.8 -40.96 79.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.861 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.78 ' HB1' HG22 ' A' ' 51' ' ' VAL . . . -60.96 -53.53 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -59.43 -35.26 73.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.218 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -67.92 -52.07 40.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.395 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.81 -9.83 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.73 64.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.837 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.4 mt -78.34 157.65 29.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.6 p -84.7 154.87 22.2 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.689 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.249 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -45.0 94.53 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.781 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.9 81.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.532 0.206 . . . . 0.0 110.81 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.78 HG22 ' HB1' ' A' ' 41' ' ' ALA . 55.8 t -57.51 -44.13 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.627 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 m -71.84 -26.87 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.162 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -71.26 -41.38 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.125 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.86 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.957 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG22 HD22 ' A' ' 31' ' ' LEU . 5.4 p -61.63 -42.42 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -66.25 -47.62 73.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.616 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -60.41 -56.46 21.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.099 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.62 -43.45 93.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.668 -175.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -63.69 -43.72 95.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.426 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.28 68.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.196 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.17 71.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -69.76 -40.08 76.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.805 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -59.49 -40.14 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.805 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.33 -35.01 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -66.71 -12.22 57.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.145 -173.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 45.1 t30 -78.32 -19.22 53.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 11.0 mp 68.8 116.36 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.623 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 -175.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 2.6 Cg_exo -76.24 -6.14 16.92 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.157 2.571 . . . . 0.0 113.951 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -129.74 144.1 51.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.188 0.518 . . . . 0.0 111.569 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.72 39.91 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.497 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -134.09 171.36 14.32 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.88 150.54 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.473 ' HG2' HG23 ' B' ' 77' ' ' VAL . 31.7 mtm180 -108.27 105.79 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' B' ' 83' ' ' ALA . 31.5 m -96.14 126.66 48.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.552 0.691 . . . . 0.0 112.004 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -103.21 114.71 29.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.254 173.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -124.5 159.88 29.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.746 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.668 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 45.0 t -78.21 112.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.554 ' HB2' HG22 ' B' ' 74' ' ' VAL . 75.2 mt -155.63 127.6 3.89 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.448 ' HG3' ' CD2' ' B' ' 71' ' ' TYR . 53.2 Cg_exo -51.76 140.62 46.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.818 2.345 . . . . 0.0 112.204 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.69 -29.88 29.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.23 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -59.29 -32.64 70.22 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -72.94 -27.16 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.691 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -58.49 -23.87 59.02 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.384 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.11 -48.27 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.297 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.72 -31.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.616 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.527 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 76.3 t -56.8 -47.35 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.151 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.53 ' HA ' ' HB3' ' A' ' 90' ' ' GLU . 29.6 ttp180 -67.19 -21.09 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.202 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.98 -39.09 72.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.172 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.402 ' CE3' ' HA ' ' A' ' 86' ' ' VAL . 10.3 m0 -75.11 -36.06 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.765 175.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.53 ' HB3' ' HA ' ' A' ' 87' ' ' ARG . 32.6 tt0 -58.23 -47.53 83.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.115 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.83 71.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.655 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -70.27 -40.69 74.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.27 -36.79 74.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' HD2' ' O ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -71.89 -30.47 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.581 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 34.1 ttpt -62.85 -19.78 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.857 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 96' ' ' LYS . 8.6 tppt? -60.46 -29.1 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.082 0.467 . . . . 0.0 110.355 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -91.22 -6.45 53.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -117.73 11.14 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.711 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m 72.02 -69.98 0.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.271 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 101' ' ' ARG . 72.3 tttt -160.31 146.7 15.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.755 0.312 . . . . 0.0 110.435 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.581 ' H ' ' HD2' ' A' ' 95' ' ' LYS . 44.9 mtt180 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.36 -0.828 . . . . 0.0 109.524 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.058 0.456 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -86.59 170.1 12.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.726 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -99.62 172.31 7.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.456 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.4 OUTLIER -99.02 166.95 11.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.312 0.577 . . . . 0.0 110.829 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.783 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 19.0 tp -125.44 158.64 33.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.432 -172.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.4 p -96.61 157.61 15.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.596 ' HG3' HG12 ' B' ' 32' ' ' VAL . 44.5 mt-10 -67.02 -21.09 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -67.53 -44.97 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.154 0.502 . . . . 0.0 110.057 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.497 ' HB3' ' CE1' ' B' ' 62' ' ' PHE . 17.1 mm-40 -77.76 -31.85 52.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.977 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.451 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 51.7 t80 -56.6 -45.65 81.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.268 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.78 -44.29 86.12 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.592 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.68 -41.85 98.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -61.01 -41.69 97.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.476 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 34.5 pt -84.51 -28.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.73 106.92 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.363 0.601 . . . . 0.0 111.0 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.35 -17.06 7.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.58 159.04 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.043 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.0 86.66 2.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.545 HG22 HD12 ' B' ' 24' ' ' ILE . 8.8 m -120.2 131.98 71.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.441 0.639 . . . . 0.0 111.227 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.69 139.95 37.79 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.516 177.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.526 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 63.7 tt0 -62.89 -23.22 67.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 -178.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.86 -50.78 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.387 . . . . 0.0 110.134 175.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.41 69.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.545 HD12 HG22 ' B' ' 19' ' ' VAL . 68.7 mt -61.28 -44.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.431 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.58 -28.14 69.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.708 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 68.2 mt -68.48 -50.94 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.413 ' CB ' ' HE2' ' B' ' 10' ' ' PHE . . . -67.27 -28.0 67.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.529 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -62.31 -37.48 85.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.41 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -106.84 -0.62 36.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.415 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.594 ' HB ' ' O ' ' B' ' 26' ' ' ILE . 2.3 t -112.31 -52.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.809 -0.23 . . . . 0.0 110.873 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.421 ' CD2' HG21 ' B' ' 55' ' ' VAL . 18.6 mt -78.95 -34.33 44.48 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 122.123 -0.36 . . . . 0.0 111.574 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.596 HG12 ' HG3' ' B' ' 7' ' ' GLU . 21.8 t -95.79 -14.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.913 0.387 . . . . 0.0 112.02 -174.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.0 t70 -108.91 10.47 26.4 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.198 0.523 . . . . 0.0 112.319 -170.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 110.14 -3.97 30.04 Favored Glycine 0 C--N 1.323 -0.159 0 C-N-CA 119.648 -1.263 . . . . 0.0 113.845 173.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.514 ' HZ3' ' NE2' ' B' ' 37' ' ' GLN . 62.0 tttm 69.73 63.37 0.53 Allowed Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 123.02 0.528 . . . . 0.0 111.95 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.488 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 81.2 Cg_endo -83.39 -36.16 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.233 1.955 . . . . 0.0 112.255 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.514 ' NE2' ' HZ3' ' B' ' 35' ' ' LYS . 43.3 mt-30 68.2 -72.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.785 0.834 . . . . 0.0 112.863 172.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.67 89.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 9.3 p -64.38 -40.77 96.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.316 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 27.5 t80 -67.1 -41.74 85.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.763 ' HB3' HG23 ' B' ' 51' ' ' VAL . . . -59.0 -45.52 90.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.804 177.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -70.45 -31.65 68.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -67.81 -52.89 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.451 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.25 -1.61 55.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.22 45.15 32.19 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.548 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 87.4 mt -99.48 159.39 15.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.164 0.507 . . . . 0.0 110.718 -176.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 3.2 m -77.58 155.05 31.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.873 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.33 -40.74 87.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.87 78.31 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.288 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.85 91.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 111.238 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.763 HG23 ' HB3' ' B' ' 41' ' ' ALA . 75.8 t -63.65 -47.03 93.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.622 ' HA ' HG12 ' B' ' 55' ' ' VAL . 59.3 m -66.18 -28.48 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.608 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 35.5 tt0 -65.13 -43.38 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.867 0.365 . . . . 0.0 110.301 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -40.61 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.676 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' B' ' 52' ' ' SER . 7.1 p -66.71 -39.87 84.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -66.15 -44.56 83.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.749 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.1 OUTLIER -64.52 -57.3 9.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.961 -174.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.57 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.404 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.783 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 48.0 t-105 -67.13 -42.97 83.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.547 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.32 75.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' B' ' 65' ' ' LYS . . . -64.75 -46.64 81.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.506 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' B' ' 9' ' ' GLN . 70.2 t80 -65.42 -38.92 91.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.979 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.66 -39.64 77.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 110.146 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -79.58 -31.96 41.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.395 0.617 . . . . 0.0 110.297 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' B' ' 61' ' ' ALA . 10.2 tptp -76.61 -5.77 49.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.17 -13.22 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp 66.81 101.59 0.04 OUTLIER Pre-proline 0 N--CA 1.471 0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.805 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.02 -6.9 3.3 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.807 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.13 116.95 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.827 0.346 . . . . 0.0 110.826 -174.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.56 31.53 0.22 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.448 ' CD2' ' HG3' ' A' ' 79' ' ' PRO . 90.9 m-85 -133.17 153.6 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.38 167.38 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.557 ' HG2' HG23 ' A' ' 77' ' ' VAL . 77.8 mtm180 -103.91 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.554 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.3 m -87.99 143.06 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.138 0.494 . . . . 0.0 111.211 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.0 m -103.96 128.35 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.854 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.427 ' HA ' ' OE2' ' A' ' 90' ' ' GLU . . . -136.8 139.92 42.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.508 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.2 t -77.95 121.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' B' ' 79' ' ' PRO . 45.6 tp -169.61 126.7 0.79 Allowed Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.529 ' HD2' HD11 ' B' ' 78' ' ' LEU . 53.1 Cg_exo -56.56 146.54 74.9 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.928 2.419 . . . . 0.0 112.225 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . 0.711 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -60.23 -19.9 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.876 -172.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -56.07 -58.64 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -73.54 -30.79 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.711 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -63.02 -23.51 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.413 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -52.46 -46.9 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.428 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mt -75.65 -33.15 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.491 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 60.6 t -63.28 -32.31 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 87' ' ' ARG . 19.2 ttt180 -62.81 -36.33 82.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.187 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.14 -42.9 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.216 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.491 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 22.3 m0 -64.83 -31.49 72.74 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.668 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 34.1 tt0 -61.63 -50.51 72.27 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 110.255 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.12 73.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.97 -44.82 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.065 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.1 74.52 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -72.64 -39.75 66.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.685 ' HG3' ' H ' ' B' ' 101' ' ' ARG . 38.1 ttpt -55.41 -36.9 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.955 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -57.52 -32.63 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.816 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -96.27 -37.58 10.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.009 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.71 30.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.458 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 28.5 m 71.6 -73.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.567 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.558 ' HA ' ' HG3' ' B' ' 95' ' ' LYS . 87.3 tttt -166.07 136.13 3.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 120.7 0.286 . . . . 0.0 110.576 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . 0.685 ' H ' ' HG3' ' B' ' 95' ' ' LYS . 93.0 mtt180 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.636 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -84.41 107.73 16.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.826 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -90.36 166.26 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.695 ' HE ' ' HA3' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -109.44 159.78 16.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 0.0 110.331 -177.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.721 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 4.2 tp -125.92 150.57 47.86 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.444 -175.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 165.58 14.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.64 -27.54 68.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.794 0.331 . . . . 0.0 111.553 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -51.99 66.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.721 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 12.1 mt-30 -78.19 -22.83 48.03 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 14' ' ' ILE . 6.5 t80 -63.95 -44.13 93.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -67.91 -31.34 71.05 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.04 -37.11 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 62' ' ' PHE . . . -68.33 -46.19 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.757 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 10' ' ' PHE . 30.3 pt -75.63 -41.36 41.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.912 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 44.46 -106.2 0.1 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.937 0.895 . . . . 0.0 112.711 175.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -126.83 30.64 4.13 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -67.16 152.07 46.41 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.801 0.441 . . . . 0.0 110.726 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 84.39 7.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.856 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.414 HG13 ' HG2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -137.99 141.4 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.56 146.11 43.26 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.779 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' HA ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -65.72 -21.02 66.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.81 -44.51 89.66 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.6 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -35.69 77.76 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 177.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 21' ' ' GLN . 67.2 mt -64.87 -39.78 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.979 0.418 . . . . 0.0 110.467 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.21 -26.08 64.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.565 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 23' ' ' THR . 53.0 mt -68.04 -50.32 59.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.7 66.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.587 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.8 ttm180 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.626 175.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.15 -16.2 33.44 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.576 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 1.1 t -96.89 -46.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.763 0.316 . . . . 0.0 110.71 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 tp -95.98 -46.46 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.551 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.1 t -69.32 -45.58 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.67 -33.65 46.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.695 ' HA3' ' HE ' ' A' ' 4' ' ' ARG . . . 87.02 51.13 3.46 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.101 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -109.96 148.94 39.29 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.195 . . . . 0.0 110.998 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.32 140.04 80.58 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 111.905 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.63 -32.41 67.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.025 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.45 98.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.601 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.474 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -33.39 75.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.223 -175.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HA ' HG23 ' A' ' 51' ' ' VAL . . . -62.76 -55.7 24.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -71.06 -26.44 63.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -71.94 -36.6 69.96 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -95.4 -7.05 39.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.691 0.281 . . . . 0.0 111.461 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.67 70.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.884 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.553 HD22 HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -91.5 169.96 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 p -83.5 155.44 23.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.64 -27.61 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.624 0.249 . . . . 0.0 110.494 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 -42.02 72.35 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.861 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.22 74.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.532 HG23 ' HA ' ' A' ' 41' ' ' ALA . 55.7 t -69.72 -42.03 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -72.11 -22.41 61.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -70.38 -34.31 72.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.744 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 23' ' ' THR . . . -71.47 -44.16 65.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.677 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -49.65 68.19 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.996 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HG2' HG13 ' A' ' 19' ' ' VAL . 7.7 tpt85 -64.42 -49.24 72.3 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.56 -44.41 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.251 0.344 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -61.06 -47.3 86.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.441 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.47 71.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.27 77.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.511 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.593 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . 23.9 t80 -66.45 -40.33 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.608 176.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.69 -34.34 71.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.57 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.42 -40.56 85.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -11.39 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.992 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.88 19.17 20.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.22 96.36 38.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -91.42 23.67 0.6 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.334 2.689 . . . . 0.0 112.202 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tt0 -133.04 -158.97 0.93 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.223 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.34 31.5 3.25 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 6.8 m-85 -112.72 119.33 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -177.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.61 163.77 27.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.956 0.408 . . . . 0.0 110.713 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -127.62 125.24 39.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.866 HG22 ' HB2' ' B' ' 78' ' ' LEU . 10.3 m -86.15 133.26 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.21 0.529 . . . . 0.0 111.107 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.78 112.9 13.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.317 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.21 159.34 42.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.983 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -82.12 109.04 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.683 ' HB2' HG22 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -160.34 144.9 10.75 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -177.772 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.429 ' HA ' ' HB1' ' B' ' 72' ' ' ALA . 30.8 Cg_endo -64.01 155.45 64.46 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.431 2.087 . . . . 0.0 112.956 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -19.82 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.652 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.2 86.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.176 0.513 . . . . 0.0 110.227 174.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -26.75 61.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.312 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.42 -23.08 62.35 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.829 0.451 . . . . 0.0 112.213 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -52.68 -47.08 67.43 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.478 0.486 . . . . 0.0 110.489 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.497 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.91 -27.75 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.072 -178.393 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.02 -36.97 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.692 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -30.59 67.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 110.732 176.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -35.97 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 175.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -75.26 -22.12 58.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.941 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.701 ' HB2' ' HB1' ' B' ' 76' ' ' ALA . 0.4 OUTLIER -65.89 -43.86 87.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.167 0.508 . . . . 0.0 109.821 176.298 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.03 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.828 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.0 -31.52 44.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.577 ' HB2' ' HD3' ' B' ' 79' ' ' PRO . . . -70.52 -39.75 73.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 175.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -24.91 64.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.926 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 98' ' ' GLU . 1.7 ttpm? -71.98 -21.28 61.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.548 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.382 . . . . 0.0 110.813 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.23 5.51 23.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . 4.1 tt0 -90.16 141.48 28.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.686 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.83 79.75 9.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.75 175.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -75.36 100.28 4.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.238 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 . . . . . 0 C--O 1.246 0.888 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.535 177.269 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.485 0.66 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 125.95 52.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.422 -178.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.11 128.75 36.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.227 177.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.698 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -111.19 174.31 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.971 -178.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' B' ' 31' ' ' LEU . 3.6 tp -121.08 156.96 31.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.59 164.08 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.526 ' HG3' HG11 ' B' ' 32' ' ' VAL . 4.0 mp0 -66.49 -29.34 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.644 0.259 . . . . 0.0 110.91 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.91 86.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.501 ' HB3' ' HG ' ' B' ' 5' ' ' LEU . 1.5 mp0 -78.31 -25.78 46.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.015 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.702 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 67.2 t80 -64.55 -47.27 79.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 174.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -26.66 65.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.024 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.56 -38.75 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.677 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.45 -45.94 64.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.492 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 pt -78.14 -37.54 22.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.525 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.409 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.5 OUTLIER 39.52 -111.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.275 1.03 . . . . 0.0 112.819 178.254 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -119.67 35.94 3.66 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.87 166.82 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -93.78 84.73 4.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.15 0.5 . . . . 0.0 110.21 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.27 132.39 71.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.016 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.85 136.37 41.09 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.113 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.404 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 2.4 tt0 -67.62 -18.11 64.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.32 -46.79 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.626 ' HA ' HD13 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.13 -32.89 74.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.921 176.352 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.404 ' HB ' ' HA ' ' B' ' 21' ' ' GLN . 90.2 mt -64.67 -37.03 79.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.434 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.73 -30.04 63.84 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.636 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' B' ' 23' ' ' THR . 18.9 mt -71.43 -49.85 44.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.702 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -66.27 -19.52 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.595 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.498 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.2 ttm-85 -62.04 -29.7 70.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.107 176.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.67 -38.17 1.94 Allowed Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.018 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' HB ' ' B' ' 55' ' ' VAL . 2.4 t -73.68 -41.27 55.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.825 0.45 . . . . 0.0 111.358 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.579 HD12 ' HE3' ' B' ' 59' ' ' TRP . 1.3 tt -94.24 -45.96 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.461 -176.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.526 HG11 ' HG3' ' B' ' 7' ' ' GLU . 88.4 t -71.32 -54.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.391 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.45 -20.41 36.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.116 0.484 . . . . 0.0 110.391 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.698 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 78.23 48.02 7.84 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.667 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.07 138.98 27.23 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.703 -0.249 . . . . 0.0 110.849 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.563 ' HG2' ' HG1' ' B' ' 39' ' ' THR . 14.6 Cg_endo -59.24 134.31 58.29 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.248 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -71.74 -27.59 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.79 -172.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.398 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.563 ' HG1' ' HG2' ' B' ' 36' ' ' PRO . 0.2 OUTLIER -72.27 -41.89 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.41 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -33.52 75.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.547 -177.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' B' ' 51' ' ' VAL . . . -63.9 -50.47 68.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.255 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -31.53 68.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.8 m -71.76 -39.83 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.419 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.69 -22.02 28.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.85 24.17 42.88 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.93 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.486 HD21 HD12 ' B' ' 26' ' ' ILE . 1.5 mp -101.87 170.73 7.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.1 155.51 34.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 110.603 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.16 -35.9 78.71 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.365 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.5 75.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.525 ' HA ' HG22 ' B' ' 26' ' ' ILE . 76.4 t -68.8 -40.66 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 52.0 m -73.85 -21.51 60.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.29 72.09 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' B' ' 23' ' ' THR . . . -67.32 -46.86 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.685 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.455 ' HB ' ' CG1' ' B' ' 30' ' ' VAL . 9.9 p -66.99 -36.63 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -39.54 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.887 178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.06 10.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 79.3 t -66.85 -37.67 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.687 0.28 . . . . 0.0 110.803 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.579 ' HE3' HD12 ' B' ' 31' ' ' LEU . 23.6 t-105 -63.03 -41.07 99.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 175.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.64 70.85 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.371 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 -38.07 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.43 -38.33 77.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.823 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.13 -37.96 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.126 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.54 -38.29 83.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.816 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -38.26 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.54 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.09 46.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.221 0.534 . . . . 0.0 110.603 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.98 101.81 27.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.987 176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.73 -37.79 2.07 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.898 2.399 . . . . 0.0 112.637 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -103.41 87.18 2.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.584 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.74 -5.06 57.78 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -99.0 158.08 15.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.944 -0.628 . . . . 0.0 110.319 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 79' ' ' PRO . . . -161.89 167.28 24.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 118.96 28.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.981 0.419 . . . . 0.0 110.385 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 78' ' ' LEU . 16.5 m -86.38 135.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.695 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -132.5 124.58 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -152.31 168.1 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.085 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.67 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 12.4 t -86.55 109.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.866 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -157.01 142.26 12.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.419 -179.126 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 93' ' ' ALA . 23.5 Cg_exo -65.39 155.96 65.9 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.666 2.244 . . . . 0.0 112.802 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' B' ' 83' ' ' ALA . 0.6 OUTLIER -70.09 -18.75 63.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.225 -176.814 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -62.68 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.218 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -72.67 -27.96 62.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.86 176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.452 ' HA ' HG22 ' B' ' 86' ' ' VAL . . . -63.76 -22.07 66.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.138 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.45 -44.77 65.72 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.199 173.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.49 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.89 -31.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.211 -178.028 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' B' ' 83' ' ' ALA . 13.6 t -68.47 -34.52 66.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.912 0.387 . . . . 0.0 110.983 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtm105 -70.01 -27.46 64.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -35.31 65.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 174.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -72.79 -18.04 61.52 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.417 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.44 -46.33 80.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.372 0.606 . . . . 0.0 111.291 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.59 -29.44 65.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.147 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' B' ' 95' ' ' LYS . 0.1 OUTLIER -75.68 -26.19 57.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.417 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.511 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -74.62 -28.35 60.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.475 ' HG2' ' HB2' ' B' ' 100' ' ' LYS . 39.2 mtpt -69.86 -11.02 60.55 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.008 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -22.29 56.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.13 0.49 . . . . 0.0 110.598 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -110.14 -38.37 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.433 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.51 176.4 6.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.659 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.25 98.85 5.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.065 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.475 ' HB2' ' HG2' ' B' ' 95' ' ' LYS . 0.0 OUTLIER -79.02 116.22 19.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.635 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.637 176.41 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.06 0.457 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.46 158.31 41.18 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -67.1 149.69 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.379 0.424 . . . . 0.0 110.043 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.616 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 66.7 mtt180 -94.65 151.94 18.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.087 0.47 . . . . 0.0 110.698 -175.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tp -117.72 148.93 41.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.58 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.93 162.78 18.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -61.71 -32.23 72.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.213 0.321 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -36.75 73.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -78.01 -36.42 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.672 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' HE1' ' HB2' ' A' ' 27' ' ' ALA . 76.2 t80 -66.34 -45.63 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.83 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -67.64 -26.27 66.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.4 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -32.77 68.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.75 -47.36 26.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.446 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.88 -8.77 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 1.7 tm0? -68.55 -34.15 75.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.83 7.98 76.66 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.85 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -120.2 158.2 27.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.353 -176.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.85 85.28 2.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.225 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.51 169.57 11.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.517 177.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.68 141.94 48.13 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.617 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -25.73 66.66 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -176.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -66.4 -42.85 87.21 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.664 HG21 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -68.44 -37.05 79.88 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.52 -41.85 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.906 0.384 . . . . 0.0 110.414 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -66.82 -25.62 66.53 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 23' ' ' THR . 48.5 mt -66.48 -50.77 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.533 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . . . -70.38 -20.06 62.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.363 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 5.6 ttp180 -64.72 -29.82 70.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.101 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . -108.13 -22.79 7.01 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.184 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.57 -42.65 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.842 0.353 . . . . 0.0 111.009 -176.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 31' ' ' LEU . 64.8 mt -95.24 -47.47 6.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.518 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 44.2 t -64.5 -43.35 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 120.77 0.319 . . . . 0.0 111.589 -177.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.15 -18.09 29.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.018 0.437 . . . . 0.0 110.496 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.616 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 74.81 46.17 18.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.93 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 0.4 OUTLIER -99.91 149.93 36.4 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.483 -0.358 . . . . 0.0 110.72 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.29 144.13 85.29 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.711 2.274 . . . . 0.0 112.206 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.835 ' HG2' HG21 ' A' ' 55' ' ' VAL . 2.1 mp0 -72.99 -29.59 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.475 -175.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.34 84.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.416 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.87 -46.37 89.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -33.77 72.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.791 -173.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.562 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -67.08 -52.69 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.553 -176.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -26.11 59.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.148 -176.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.0 m -73.72 -41.27 62.79 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -84.34 -18.55 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.94 0.4 . . . . 0.0 111.18 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.99 19.22 56.44 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.403 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 26' ' ' ILE . 1.3 mp -89.66 176.23 6.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.0 154.95 24.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.25 81.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.618 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -68.65 -26.41 74.47 Favored Glycine 0 N--CA 1.45 -0.408 0 O-C-N 123.885 0.741 . . . . 0.0 113.396 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.79 59.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.878 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 41' ' ' ALA . 44.0 t -71.79 -41.44 70.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.662 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 p -69.32 -28.54 66.34 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.749 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 2.1 tm0? -65.73 -38.71 89.9 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.851 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 23' ' ' THR . . . -64.83 -35.32 80.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.835 HG21 ' HG2' ' A' ' 37' ' ' GLN . 10.7 t -59.92 -52.32 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -35.09 79.5 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.198 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -57.77 -52.57 64.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.879 0.472 . . . . 0.0 111.668 -177.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.436 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.4 t -78.21 -35.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.779 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.412 ' CE3' HD21 ' A' ' 31' ' ' LEU . 15.9 t-105 -65.48 -41.13 93.64 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.77 75.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.62 0.248 . . . . 0.0 111.073 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.605 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.42 -41.4 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.348 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.48 -31.26 71.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.685 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -33.46 65.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.19 0.519 . . . . 0.0 110.303 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -83.56 2.54 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.688 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.14 26.88 8.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.344 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.12 99.38 50.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.524 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -87.32 159.5 8.25 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.241 2.627 . . . . 0.0 112.678 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.59 117.78 34.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.503 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.45 -57.75 2.7 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.478 ' HB3' HE22 ' A' ' 97' ' ' GLN . 5.1 p90 -113.26 135.96 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.615 0.245 . . . . 0.0 110.554 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.9 39.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.159 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.526 ' HG2' HG23 ' B' ' 77' ' ' VAL . 17.1 mtm180 -82.82 105.95 14.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' B' ' 78' ' ' LEU . 33.2 m -92.39 140.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.243 0.544 . . . . 0.0 111.161 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.91 126.45 47.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.94 44.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.034 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -79.05 110.14 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.805 ' HB2' HG21 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -150.32 142.59 15.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' B' ' 93' ' ' ALA . 15.1 Cg_exo -67.96 160.86 46.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.471 2.114 . . . . 0.0 112.625 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.568 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 2.3 pm0 -71.73 -20.25 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -44.0 91.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.042 0.449 . . . . 0.0 109.936 172.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' HA ' HD11 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -71.85 -26.6 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.996 177.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' A' ' 80' ' ' GLU . . . -61.11 -23.14 65.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.125 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -54.62 -46.89 73.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.257 0.551 . . . . 0.0 110.249 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -81.16 -30.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.802 -178.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.482 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -66.01 -33.86 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -63.23 -38.08 89.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.74 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.19 -32.99 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.708 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -69.36 -26.86 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.147 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' HG3' ' HB3' ' B' ' 76' ' ' ALA . 1.8 tm-20 -63.57 -43.91 95.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.01 72.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.007 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.22 -38.41 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.801 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' CB ' ' HG ' ' B' ' 78' ' ' LEU . . . -64.99 -38.13 89.96 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.585 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -71.3 -36.33 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.261 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -9.21 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.608 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.16 -16.81 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.344 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.478 HE22 ' HB3' ' A' ' 71' ' ' TYR . 33.9 mt-30 -113.3 -21.57 10.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.377 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.17 141.93 28.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.526 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m 55.17 59.46 3.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.922 0.868 . . . . 0.0 111.343 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' A' ' 100' ' ' LYS . 19.4 mmtm -118.66 101.42 8.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 101' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.705 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.474 ' HG2' ' HA ' ' B' ' 36' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.485 ' HA ' ' HD2' ' B' ' 2' ' ' LYS . 6.4 tptt 68.86 178.34 0.25 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.187 0.929 . . . . 0.0 111.174 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -81.19 123.89 28.82 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.623 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.1 OUTLIER -95.86 164.39 12.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.064 0.459 . . . . 0.0 111.335 -173.225 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tp -137.69 164.83 27.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.56 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.7 p -95.4 165.38 12.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -32.18 73.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 111.093 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.68 80.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -75.16 -31.46 61.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.668 ' HE1' ' HB1' ' B' ' 27' ' ' ALA . 75.5 t80 -62.62 -47.68 82.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 177.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -68.98 -26.61 65.12 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.762 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -33.01 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.87 -39.48 61.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.83 8.26 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -58.88 2.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.138 0.975 . . . . 0.0 113.351 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.84 20.15 29.57 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -95.19 92.11 6.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.256 0.551 . . . . 0.0 110.602 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.75 84.45 5.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.95 0.881 . . . . 0.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.402 ' H ' HG22 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -121.03 -163.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.005 177.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 130.49 23.9 Favored Glycine 0 C--N 1.316 -0.54 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.561 ' HA ' HD11 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -73.07 -20.35 60.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.172 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -36.02 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.496 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.572 ' HA ' HD11 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -68.63 -35.69 77.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 174.114 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.561 HD11 ' HA ' ' B' ' 21' ' ' GLN . 58.2 mt -67.68 -35.33 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.996 0.427 . . . . 0.0 109.939 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.21 -27.19 67.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.213 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.572 HD11 ' HA ' ' B' ' 23' ' ' THR . 51.8 mt -65.76 -49.97 73.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.668 ' HB1' ' HE1' ' B' ' 10' ' ' PHE . . . -67.62 -23.3 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.717 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.589 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 8.8 ttt180 -66.37 -30.01 70.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.214 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.34 -38.99 2.91 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.017 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.752 HG12 HG21 ' B' ' 55' ' ' VAL . 1.3 t -70.0 -43.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 122.948 0.499 . . . . 0.0 111.551 -175.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' B' ' 31' ' ' LEU . 83.8 mt -98.0 -47.26 5.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.637 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 57.8 t -67.12 -48.92 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.432 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.46 -27.23 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 110.283 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.623 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 84.22 43.87 6.87 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.714 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.522 ' HE3' ' HD2' ' B' ' 36' ' ' PRO . 15.5 mmmt -93.43 145.27 29.68 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.287 . . . . 0.0 111.67 -175.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' HE3' ' B' ' 35' ' ' LYS . 10.6 Cg_endo -55.83 137.04 77.42 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.515 2.81 . . . . 0.0 112.734 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.629 ' HG3' HG22 ' B' ' 30' ' ' VAL . 2.7 mp0 -76.82 -26.94 54.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.993 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.23 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.564 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -37.0 82.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.473 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -66.35 -34.06 77.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.147 -177.593 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.657 ' HA ' HG23 ' B' ' 51' ' ' VAL . . . -63.63 -44.7 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.18 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -34.47 75.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.718 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.0 m -70.33 -44.64 67.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.83 -17.21 38.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 111.644 -175.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.73 14.3 73.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.616 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.69 161.91 14.7 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.68 156.34 36.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -58.44 -38.43 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.279 0.362 . . . . 0.0 111.175 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.03 94.21 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.788 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.48 71.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.212 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' B' ' 41' ' ' ALA . 40.7 t -69.11 -46.01 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.341 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -70.21 -18.61 63.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.546 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -36.74 77.48 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.357 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.465 ' HB3' HG21 ' B' ' 23' ' ' THR . . . -68.87 -40.6 79.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.752 HG21 HG12 ' B' ' 30' ' ' VAL . 12.8 t -57.28 -51.6 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.247 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.431 ' O ' ' HB1' ' B' ' 60' ' ' ALA . 3.1 m170 -65.73 -43.23 89.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.165 -177.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.43 ' HD2' ' HA ' ' B' ' 57' ' ' ARG . 0.5 OUTLIER -68.1 -45.63 73.19 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.45 -40.31 79.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 110.468 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -65.86 -36.92 84.8 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.923 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' B' ' 56' ' ' HIS . . . -65.05 -35.67 81.92 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.262 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.71 77.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.034 0.445 . . . . 0.0 110.675 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.07 -44.24 69.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 178.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.96 -32.0 68.74 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.448 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -65.89 -40.0 91.15 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 110.421 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -75.4 -16.92 60.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.176 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -111.21 32.33 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.89 83.75 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.76 143.35 18.57 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.921 2.414 . . . . 0.0 111.672 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.67 141.32 36.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.427 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.05 -20.51 57.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.482 ' HE1' ' HA ' ' B' ' 94' ' ' LYS . 12.2 m-85 -122.72 118.38 27.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.173 0.511 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.63 166.18 11.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.361 175.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.45 111.92 17.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.164 0.507 . . . . 0.0 109.892 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.805 HG21 ' HB2' ' A' ' 78' ' ' LEU . 34.2 m -86.22 131.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.345 0.593 . . . . 0.0 110.265 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.42 115.13 21.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.278 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -140.04 150.37 44.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.526 HG23 ' HG2' ' A' ' 73' ' ' ARG . 15.7 t -78.78 110.4 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.575 ' HB2' HG23 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -138.08 149.65 64.52 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.926 -176.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -67.38 154.44 73.89 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.184 1.923 . . . . 0.0 111.419 172.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -22.2 65.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.81 -175.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -63.13 -49.06 75.89 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.313 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' B' ' 85' ' ' ILE . 6.0 mp0 -72.48 -28.72 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.08 177.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.474 ' HB3' HG12 ' A' ' 74' ' ' VAL . . . -64.99 -23.51 67.24 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.098 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -55.81 -48.34 75.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.161 0.505 . . . . 0.0 110.108 173.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' B' ' 82' ' ' GLN . 0.2 OUTLIER -77.11 -26.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.823 -178.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 53.4 t -68.06 -35.81 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -36.71 83.9 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.814 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.56 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.525 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -73.34 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.381 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -43.62 98.43 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.275 0.559 . . . . 0.0 109.923 172.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.98 61.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.453 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.52 -40.36 92.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.862 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . . . -67.93 -32.75 73.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.467 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.482 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 5.1 mttp -69.46 -47.27 64.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.193 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -9.06 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.727 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -74.2 -22.66 59.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -112.45 -28.76 7.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.746 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.449 ' C ' ' HG1' ' B' ' 99' ' ' THR . 1.4 tt0 -76.55 131.88 39.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.972 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.449 ' HG1' ' C ' ' B' ' 98' ' ' GLU . 0.8 OUTLIER 46.26 67.94 0.68 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.454 1.102 . . . . 0.0 113.12 179.477 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -121.04 111.0 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.158 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mmm . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.221 0.534 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -137.97 74.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.513 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.92 157.92 22.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.564 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.443 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -135.3 144.87 47.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.383 175.286 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.8 tp -92.82 155.85 17.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.413 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 p -91.53 153.21 19.93 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.15 -27.08 68.48 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.487 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -65.74 -45.54 82.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.81 0.338 . . . . 0.0 110.556 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -78.32 -23.37 47.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.48 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE2' HG22 ' A' ' 24' ' ' ILE . 64.0 t80 -58.32 -46.7 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.306 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -46.45 64.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.791 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.77 -46.47 89.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.058 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 62' ' ' PHE . . . -59.51 -48.9 79.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.036 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.9 pt -82.48 -14.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.973 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -52.4 -48.54 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.053 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.46 6.22 82.35 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.311 -174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' ' 13' ' ' ALA . 3.8 mm? -115.1 147.33 40.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 111.581 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.85 84.65 6.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.644 HG22 HD12 ' A' ' 24' ' ' ILE . 4.0 m -115.7 134.12 59.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.073 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.46 35.11 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.467 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 36.7 mt-30 -61.28 -25.97 67.46 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' ILE . 34.7 tt0 -59.43 -51.37 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 174.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -63.67 -37.83 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.114 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 19' ' ' VAL . 70.6 mt -60.69 -48.03 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.318 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.36 -26.76 68.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.527 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.547 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 87.1 mt -69.67 -50.99 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.44 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.798 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.745 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 37.6 ttt180 -63.29 -27.97 69.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.965 0.412 . . . . 0.0 110.926 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -109.22 -40.45 1.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.766 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 t -71.89 -40.94 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 C-N-CA 122.779 0.432 . . . . 0.0 111.406 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.702 HD11 HG22 ' A' ' 55' ' ' VAL . 54.9 tp -100.88 -32.77 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.838 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.745 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 78.4 t -82.69 -46.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 111.328 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.1 t70 -84.91 -22.18 29.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.43 0.633 . . . . 0.0 109.574 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 83.38 28.7 35.44 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.006 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 66.4 mttm -76.2 137.78 68.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.903 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -57.05 135.82 73.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.67 2.246 . . . . 0.0 111.135 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -57.46 -31.93 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.642 -169.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.57 87.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.406 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -49.19 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.784 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 1.9 t80 -72.74 -34.01 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.037 -176.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.72 86.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.083 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 -27.4 65.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.165 0.507 . . . . 0.0 111.086 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -78.39 -55.96 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.552 ' HB3' HD13 ' A' ' 46' ' ' LEU . 11.1 mp -79.68 -27.44 40.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.37 -0.38 59.93 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.213 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 44' ' ' LEU . 8.6 mp -77.97 149.48 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 p -71.31 159.69 34.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.725 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -54.84 -39.27 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.542 0.21 . . . . 0.0 110.705 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.86 -40.79 97.25 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.58 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.37 80.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.169 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.94 -36.83 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.614 ' HA ' HG13 ' A' ' 55' ' ' VAL . 39.1 m -72.14 -23.45 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.019 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.76 -38.86 92.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 0.0 109.856 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.8 -48.81 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.421 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 31' ' ' LEU . 7.1 p -65.79 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.693 -177.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -66.3 -49.67 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -63.56 -51.9 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.414 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.06 -45.59 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 110.84 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.663 ' CE3' HD12 ' A' ' 31' ' ' LEU . 72.3 t-105 -61.79 -49.57 75.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.24 84.79 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . 56.5 t80 -76.99 -41.17 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 110.187 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.72 -37.91 83.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -28.38 68.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.478 . . . . 0.0 110.638 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -78.18 -6.53 55.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 6.4 t30 -84.38 -11.24 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm? 71.4 99.24 0.04 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.15 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.33 135.44 46.49 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.723 2.282 . . . . 0.0 111.582 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.658 ' HG3' ' HD2' ' A' ' 71' ' ' TYR . 43.7 tt0 -79.23 87.56 4.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.269 0.557 . . . . 0.0 110.553 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.42 24.24 28.38 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.047 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.658 ' HD2' ' HG3' ' A' ' 69' ' ' GLU . 90.7 m-85 -78.54 149.53 33.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.49 161.99 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.93 0.395 . . . . 0.0 110.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -128.77 131.26 47.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.59 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.846 HG12 ' HB3' ' B' ' 83' ' ' ALA . 31.9 m -88.56 141.46 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.258 0.552 . . . . 0.0 111.042 -177.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -136.89 130.83 32.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.74 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -156.54 150.65 25.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.523 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 2.7 m -78.68 127.28 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 174.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.696 HD21 ' HD2' ' A' ' 79' ' ' PRO . 1.7 tt -168.1 129.97 1.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.696 ' HD2' HD21 ' A' ' 78' ' ' LEU . 73.1 Cg_exo -37.93 133.32 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.972 3.114 . . . . 0.0 114.585 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.46 -27.88 66.49 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.039 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.18 -37.94 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -72.45 -25.81 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.329 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' HB3' HG12 ' B' ' 74' ' ' VAL . . . -53.75 -23.44 11.86 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 52.6 t80 -52.08 -49.13 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.242 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.29 -26.73 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.013 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG13 ' HB ' ' B' ' 74' ' ' VAL . 64.8 t -66.65 -39.96 85.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 52.7 mtt180 -68.04 -23.44 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.175 0.512 . . . . 0.0 110.492 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 84' ' ' TYR . 74.6 mmtt -80.79 -44.69 18.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.202 177.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -62.16 -38.08 87.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.8 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.3 tt0 -59.08 -46.65 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.312 0.577 . . . . 0.0 110.354 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.11 66.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.562 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -74.57 -40.56 61.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.661 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.18 77.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 110.665 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.602 ' HA ' HE21 ' A' ' 97' ' ' GLN . 41.1 tttm -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 109.959 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 27.0 ttpt -72.02 -30.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.416 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.12 -26.94 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.17 0.51 . . . . 0.0 110.121 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.602 HE21 ' HA ' ' A' ' 94' ' ' LYS . 50.3 mt-30 -72.76 -36.29 67.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.333 171.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HG3' ' HE2' ' A' ' 100' ' ' LYS . 35.8 tt0 56.14 91.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 122.108 0.956 . . . . 0.0 112.012 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -89.81 37.75 0.89 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.161 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 98' ' ' GLU . 50.6 mtmt -101.38 99.22 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.193 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.897 -177.237 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.59 151.07 51.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.47 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -142.07 160.98 39.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' B' ' 4' ' ' ARG . 3.6 ppt_? -145.78 143.24 29.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.43 0.633 . . . . 0.0 110.914 170.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.705 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 14.6 tp -105.68 160.83 14.9 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.804 -170.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -83.89 153.52 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 35.3 tt0 -66.93 -23.7 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.654 -174.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.5 m -64.0 -49.44 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.445 ' NE2' HD11 ' B' ' 5' ' ' LEU . 21.0 mt-30 -75.44 -28.95 59.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.035 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.514 ' O ' HG12 ' B' ' 14' ' ' ILE . 86.9 t80 -59.26 -46.29 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.58 173.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -45.13 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.455 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.26 -42.91 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.671 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.37 55.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.563 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 10' ' ' PHE . 32.0 pt -69.96 -18.58 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -56.82 -30.35 63.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.153 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.01 35.43 4.94 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' B' ' 61' ' ' ALA . 2.5 mm? -129.54 143.92 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 110.765 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -114.97 83.92 1.99 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.21 146.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.45 -172.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.03 142.8 43.9 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.52 175.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.94 -29.56 4.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.16 -40.73 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.361 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.534 HG21 ' HA ' ' B' ' 54' ' ' ALA . 6.8 m -64.48 -44.46 90.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.554 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.39 -41.92 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.04 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.29 -40.66 91.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.607 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' B' ' 51' ' ' VAL . 74.4 mt -71.56 -48.15 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.52 . . . . 0.0 110.132 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -62.7 -27.77 69.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.671 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.71 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 67.2 ttt180 -61.76 -27.52 68.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.958 0.409 . . . . 0.0 111.025 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.05 -40.69 1.51 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.842 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.97 -38.32 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 120.984 0.421 . . . . 0.0 111.208 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.485 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.6 tt -98.02 -40.61 8.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.71 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 84.5 t -79.19 -51.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 32.0 t70 -81.94 -24.16 35.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.57 0.7 . . . . 0.0 110.189 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' B' ' 4' ' ' ARG . . . 78.31 41.33 17.31 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.982 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -78.58 148.17 72.82 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.609 0.242 . . . . 0.0 110.538 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.823 ' HB2' ' HG1' ' B' ' 39' ' ' THR . 32.1 Cg_exo -58.51 118.1 4.92 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.387 2.058 . . . . 0.0 110.573 172.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -53.46 -40.74 65.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.672 -170.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 111.151 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.823 ' HG1' ' HB2' ' B' ' 36' ' ' PRO . 4.9 m -66.96 -44.37 80.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . 0.403 ' HE2' HG12 ' B' ' 26' ' ' ILE . 29.0 t80 -65.47 -40.59 93.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.415 0.626 . . . . 0.0 109.431 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.56 89.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.097 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.3 m -70.38 -32.37 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.919 0.39 . . . . 0.0 111.233 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -66.39 -52.27 48.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' B' ' 46' ' ' LEU . 9.2 mp -83.82 -33.58 24.88 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.49 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.05 -3.68 33.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.221 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' B' ' 44' ' ' LEU . 8.0 mp -71.82 147.23 47.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 156.32 39.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -53.17 -43.56 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.575 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -54.31 -38.59 62.41 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.707 -0.678 . . . . 0.0 113.181 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.09 -40.47 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.926 0.363 . . . . 0.0 111.062 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.478 ' HA ' HD11 ' B' ' 26' ' ' ILE . 70.9 t -68.35 -50.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m -68.93 -21.99 64.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 49.4 tt0 -66.54 -39.12 88.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.534 ' HA ' HG21 ' B' ' 23' ' ' THR . . . -65.81 -44.64 85.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.577 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.05 -38.68 82.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.21 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -66.29 -47.34 73.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.263 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' B' ' 57' ' ' ARG . 9.7 tpt180 -57.23 -50.52 72.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.345 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.0 -46.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.423 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.705 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 65.2 t-105 -62.26 -49.39 75.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.218 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.34 74.71 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.656 ' HB3' HD22 ' B' ' 17' ' ' LEU . . . -60.68 -46.29 90.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.937 0.398 . . . . 0.0 111.013 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.09 -46.14 88.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.857 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.07 -38.78 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.276 -177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.03 -31.42 67.89 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.645 0.26 . . . . 0.0 111.475 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -66.68 -11.23 53.17 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 8.4 t30 -84.63 -10.74 57.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.03 0.443 . . . . 0.0 110.104 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 66' ' ' ASN . 4.0 mm? 72.28 97.87 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.385 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.482 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 142.15 96.02 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.933 2.422 . . . . 0.0 111.43 174.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.68 100.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.798 -175.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.56 38.89 2.95 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -125.87 118.47 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 110.629 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.9 166.09 17.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.071 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 35.8 ptt180 -107.02 130.71 54.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.3 0.572 . . . . 0.0 110.231 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.536 ' HB ' HG13 ' A' ' 86' ' ' VAL . 17.0 m -85.39 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.474 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.7 m -125.49 130.6 52.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.154 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.63 152.39 36.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.8 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.5 t -78.74 109.95 13.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.576 ' HB2' HG21 ' A' ' 74' ' ' VAL . 41.7 mt -153.25 139.87 12.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.392 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.8 Cg_exo -63.35 155.37 62.47 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.425 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -53.73 -30.0 42.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.817 -173.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' B' ' 84' ' ' TYR . 21.9 m-70 -58.35 -33.1 69.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.513 ' O ' HG23 ' B' ' 86' ' ' VAL . 28.4 mm-40 -72.83 -46.72 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.6 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.846 ' HB3' HG12 ' A' ' 74' ' ' VAL . . . -60.63 -27.05 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' B' ' 81' ' ' HIS . 54.9 t80 -51.39 -43.35 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 mt -85.07 -37.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.587 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 83.4 t -58.54 -36.52 59.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.567 -175.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' B' ' 83' ' ' ALA . 50.6 mtt180 -60.57 -31.29 70.42 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -78.03 -26.04 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.564 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -77.41 -38.44 49.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 109.692 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.69 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 39.5 tt0 -60.28 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.952 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.82 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.453 ' HA ' ' HE3' ' B' ' 95' ' ' LYS . 13.8 t70 -76.79 -36.98 56.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.404 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.27 70.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -68.53 -37.12 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 92' ' ' ASP . 27.0 ttpp -69.78 -11.33 60.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.998 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -63.61 -34.75 78.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.095 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -86.64 3.29 45.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.276 0.56 . . . . 0.0 109.785 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 63.68 130.4 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.288 -1.323 . . . . 0.0 113.581 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -108.25 -3.0 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.631 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -114.83 159.32 20.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.494 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.112 178.788 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.767 0.317 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 109.67 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.44 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 1.5 tttp -161.76 -178.3 6.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.766 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -108.16 155.33 20.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.018 0.437 . . . . 0.0 110.428 177.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 7.4 tp -134.53 166.76 22.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.827 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 163.58 12.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 172.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.75 -23.18 67.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.648 0.261 . . . . 0.0 111.466 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -45.58 82.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.083 0.468 . . . . 0.0 110.956 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.519 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 11.1 mp0 -78.47 -24.5 45.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.435 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CE2' HG12 ' A' ' 58' ' ' VAL . 16.2 t80 -62.66 -53.7 50.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.68 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -64.95 -27.18 68.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.133 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.01 -32.31 65.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.976 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.772 ' HB3' ' HB2' ' A' ' 61' ' ' ALA . . . -75.11 -43.31 53.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.776 -177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -79.44 2.96 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.91 -52.75 64.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.98 0.512 . . . . 0.0 112.284 -176.547 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.15 42.41 1.95 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.054 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.12 144.91 50.92 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.855 0.359 . . . . 0.0 110.765 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.22 83.53 4.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 173.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.37 126.51 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.907 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.11 169.95 55.04 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.744 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.092 0.557 . . . . 0.0 112.472 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.12 -47.12 75.17 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.296 -0.161 . . . . 0.0 110.576 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -61.13 -37.83 84.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.531 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.494 HG21 ' HE1' ' A' ' 10' ' ' PHE . 73.7 mt -70.31 -47.51 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.34 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.89 -31.77 61.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.19 -45.15 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB1' ' HE2' ' A' ' 10' ' ' PHE . . . -65.18 -19.03 65.78 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.653 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -29.79 69.07 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.184 -0.323 . . . . 0.0 111.062 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.67 -0.51 27.54 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.671 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 2.0 t -112.84 -46.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.758 HD23 HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -90.29 -49.06 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -178.229 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.48 -33.44 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.064 0.459 . . . . 0.0 110.773 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.62 -19.1 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.766 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.71 46.05 78.89 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.047 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -118.15 148.8 44.41 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.373 0.13 . . . . 0.0 110.959 -176.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -61.84 139.08 78.02 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.188 2.592 . . . . 0.0 113.383 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -23.24 60.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.927 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.13 97.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.441 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.46 71.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.153 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.77 -39.46 87.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.182 -175.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 51' ' ' VAL . . . -65.88 -50.27 65.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.552 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -22.77 61.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 m -76.57 -41.62 45.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.067 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -22.6 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.742 -176.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.7 20.33 34.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.541 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.61 171.53 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.237 -0.481 . . . . 0.0 109.816 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.54 156.29 20.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.096 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -43.99 97.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 110.825 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.22 -27.8 73.23 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 113.017 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.35 46.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 41' ' ' ALA . 90.7 t -71.62 -39.69 70.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.861 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -74.04 -16.76 61.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.66 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -69.73 -33.41 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 176.356 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.496 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.9 -47.3 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.042 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.758 HG21 HD23 ' A' ' 31' ' ' LEU . 7.7 p -65.95 -36.73 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.156 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -65.34 -50.11 66.83 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.605 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -69.37 -48.86 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.157 -173.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG12 ' CE2' ' A' ' 10' ' ' PHE . 71.2 t -70.47 -41.66 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.583 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.44 ' CH2' ' HB3' ' A' ' 3' ' ' LYS . 71.2 t-105 -64.84 -43.64 92.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.307 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.25 72.35 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.111 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.772 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -63.99 -41.1 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.105 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -73.29 -37.17 66.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.849 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.83 -35.63 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.545 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.5 t70 -77.97 -30.35 50.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 177.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -66.34 -40.71 90.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.203 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -90.75 3.11 55.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.643 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.41 115.18 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 124.665 1.186 . . . . 0.0 112.283 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 9.7 Cg_endo -87.32 1.8 7.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.002 2.468 . . . . 0.0 111.652 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.66 151.94 18.9 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.652 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.84 -33.43 7.4 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.09 130.31 56.9 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.85 139.88 50.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 5.9 ptp85 -123.9 124.3 42.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.6 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.767 HG21 ' HB3' ' B' ' 78' ' ' LEU . 15.3 m -92.01 115.55 31.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.741 0.781 . . . . 0.0 111.171 -177.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.12 116.37 22.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.074 177.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.87 ' HB2' ' HG3' ' B' ' 90' ' ' GLU . . . -122.42 155.92 35.09 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.754 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.4 t -108.87 108.75 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' B' ' 93' ' ' ALA . 0.4 OUTLIER -164.08 130.0 2.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.926 -170.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.742 ' HA ' ' HB2' ' B' ' 72' ' ' ALA . 37.1 Cg_exo -63.17 157.49 49.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.113 2.542 . . . . 0.0 113.043 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -19.55 64.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.185 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.88 40.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.822 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -73.42 -27.56 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.825 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.91 -20.83 65.56 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.596 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -52.27 -44.58 65.02 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.374 0.421 . . . . 0.0 111.073 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.472 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -83.73 -34.01 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 -37.35 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.88 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.03 -32.97 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.641 0.377 . . . . 0.0 111.384 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -73.74 -45.42 52.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.558 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -65.45 -41.81 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.591 ' HA ' ' HB1' ' A' ' 93' ' ' ALA . 22.9 mm-40 -77.49 -22.91 50.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.146 -176.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.29 76.86 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.362 0.601 . . . . 0.0 109.417 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.25 -29.72 60.28 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.321 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 90' ' ' GLU . . . -70.62 -35.92 73.21 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 176.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -38.54 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.176 174.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -80.96 -11.86 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.103 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -13.05 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.281 0.563 . . . . 0.0 110.17 175.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.06 -1.53 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.793 172.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.79 33.65 10.05 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.281 1.032 . . . . 0.0 112.379 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.85 61.84 0.6 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.769 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -144.59 127.51 16.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.716 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.2 mpt_? . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.0 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.474 ' HB3' ' HE3' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.779 0.323 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 66.17 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.378 0.609 . . . . 0.0 110.386 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -154.01 159.06 41.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.464 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.604 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.9 mtt-85 -93.25 154.93 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.184 0.516 . . . . 0.0 110.903 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.444 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 11.1 tp -117.19 161.77 18.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.29 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -93.76 163.56 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.872 0.368 . . . . 0.0 110.62 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -45.66 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -73.66 -31.28 63.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.129 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.635 ' HE1' ' HB3' ' B' ' 27' ' ' ALA . 87.9 t80 -65.3 -46.98 78.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.07 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -32.5 72.78 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.93 -42.52 97.34 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.27 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.921 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.438 HD11 HG23 ' B' ' 24' ' ' ILE . 3.1 pt -76.3 -22.3 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -173.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.31 -6.43 59.24 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.816 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.07 6.04 58.06 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 171.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.421 ' HA ' HD11 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -124.2 163.26 21.95 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.775 0.43 . . . . 0.0 111.028 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.98 84.62 2.28 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.23 161.9 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.892 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.45 146.76 43.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.28 -1.327 . . . . 0.0 113.524 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.88 -19.22 61.33 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.88 -46.49 68.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -37.5 80.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.3 177.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.438 HG23 HD11 ' B' ' 14' ' ' ILE . 81.5 mt -69.4 -41.18 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.684 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.13 -33.1 75.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.639 HD11 HD22 ' B' ' 46' ' ' LEU . 39.2 mt -69.7 -50.93 45.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.635 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -67.19 -21.32 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.677 -178.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -30.05 71.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.582 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.63 -36.02 2.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.631 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.623 HG13 HE21 ' B' ' 37' ' ' GLN . 0.9 OUTLIER -66.04 -41.12 89.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.965 0.506 . . . . 0.0 111.454 -176.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.75 HD21 HG23 ' B' ' 55' ' ' VAL . 28.9 mt -97.6 -52.0 3.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.473 -177.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.85 -39.34 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -93.46 -14.38 26.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.753 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.604 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 73.99 48.38 16.15 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.0 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 138.04 21.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.698 -0.251 . . . . 0.0 110.931 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.6 139.88 91.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.962 2.441 . . . . 0.0 112.266 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.623 HE21 HG13 ' B' ' 30' ' ' VAL . 15.9 mp0 -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.483 -174.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.75 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.657 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.8 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.407 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -37.94 81.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.558 ' HA ' HG23 ' B' ' 51' ' ' VAL . . . -63.56 -47.0 83.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.284 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -65.45 -41.65 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.738 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -74.48 -29.71 61.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -83.42 -27.51 29.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 26.7 32.77 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.639 HD22 HD11 ' B' ' 26' ' ' ILE . 1.8 mp -103.86 170.63 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.34 154.49 30.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 48' ' ' ARG . 4.2 ttp180 -64.41 -42.76 95.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.114 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.22 -26.97 73.39 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.76 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.07 -39.83 65.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 110.708 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.558 HG23 ' HA ' ' B' ' 41' ' ' ALA . 44.8 t -71.28 -39.72 73.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.47 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 m -73.41 -20.64 60.68 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.446 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.7 73.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.447 173.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.15 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.972 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.75 HG23 HD21 ' B' ' 31' ' ' LEU . 3.3 p -66.37 -39.05 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.123 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -69.04 -48.38 63.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.22 -38.57 77.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.434 0.159 . . . . 0.0 111.315 -175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . 0.476 ' CE3' HD22 ' B' ' 31' ' ' LEU . 53.1 t-105 -67.22 -42.15 84.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.784 0.326 . . . . 0.0 110.949 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.81 82.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.3 -39.69 81.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.75 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.16 -49.53 75.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.53 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.87 -43.29 93.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.773 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.58 -39.58 91.78 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.696 0.284 . . . . 0.0 111.591 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.19 -28.63 61.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -25.19 62.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.369 176.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.86 90.68 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.571 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.51 -12.81 22.66 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.844 2.363 . . . . 0.0 111.457 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.34 118.32 19.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.881 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.66 -27.19 69.75 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.438 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -103.18 157.3 17.1 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.742 ' HB2' ' HA ' ' A' ' 79' ' ' PRO . . . -156.15 157.27 35.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.79 115.36 10.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -96.95 138.6 21.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.729 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.59 113.83 26.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.138 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.453 ' HB2' ' HG3' ' A' ' 90' ' ' GLU . . . -112.0 173.22 6.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -124.38 109.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.366 -179.038 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.767 ' HB3' HG21 ' A' ' 74' ' ' VAL . 2.3 tp -163.1 140.88 6.15 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.13 -171.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.81 158.38 38.16 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.17 2.58 . . . . 0.0 113.241 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -18.72 64.17 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.201 -176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -60.46 -55.27 35.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.48 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -72.11 -26.46 62.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.51 62.42 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -52.44 -46.86 66.59 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.42 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.66 -32.62 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.698 -178.442 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.82 -42.0 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.944 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -40.36 61.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.107 0.563 . . . . 0.0 111.841 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.39 -33.15 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -79.82 -32.96 40.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.702 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.87 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 18.7 mm-40 -77.34 -24.02 50.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.144 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.78 -22.54 37.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.16 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' B' ' 90' ' ' GLU . . . -67.92 -40.75 83.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.707 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -26.68 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.961 175.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -10.19 59.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.294 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -71.71 -16.37 62.23 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -94.12 -1.17 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.176 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.46 39.32 31.09 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.088 0.955 . . . . 0.0 113.104 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -17.18 53.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 175.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.81 34.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.41 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.739 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.467 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.652 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 3.8 mtp-105 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.96 0.409 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 5.9 tp -136.49 123.76 21.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.585 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 160.68 32.42 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -46.72 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.882 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -73.66 -27.66 61.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.586 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CE2' ' HD2' ' A' ' 28' ' ' ARG . 24.1 t80 -65.63 -46.35 79.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.416 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 123.508 0.505 . . . . 0.0 111.547 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -39.83 94.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.803 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -49.74 16.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.16 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 14.7 pt -74.1 -10.55 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.05 -27.24 63.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.664 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 20.8 42.41 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.825 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -108.6 119.64 40.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.42 82.8 3.72 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.89 155.45 10.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.212 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.95 156.05 50.02 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.624 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 24' ' ' ILE . 2.9 mt-30 -64.29 -18.09 64.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.425 -0.387 . . . . 0.0 112.038 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -62.73 -47.52 83.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.287 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -69.91 -33.68 72.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.282 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 21' ' ' GLN . 76.0 mt -69.19 -39.4 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.2 -25.68 65.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.667 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 31.5 mm -62.5 -50.71 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -71.48 -19.84 62.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.686 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.593 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -66.63 -28.94 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.407 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.36 -25.9 5.62 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.127 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.83 HG11 HG22 ' A' ' 55' ' ' VAL . 1.3 t -80.58 -45.62 21.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD12 ' HB1' ' A' ' 27' ' ' ALA . 30.9 mt -94.11 -45.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -176.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 84.2 t -64.74 -41.5 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.302 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.45 -14.3 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.1 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.652 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.76 48.77 59.57 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.763 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -108.09 153.21 41.91 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.589 -0.305 . . . . 0.0 111.423 -172.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.74 131.91 46.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.421 2.747 . . . . 0.0 112.864 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HG2' HG21 ' A' ' 55' ' ' VAL . 7.4 mp0 -80.94 -27.35 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.421 -173.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.36 85.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.558 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -39.28 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.146 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -33.89 75.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.37 88.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.189 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -71.35 -27.12 63.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.803 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 m -77.26 -32.82 55.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.669 0.271 . . . . 0.0 111.578 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -99.55 -11.93 20.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.602 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 16.25 68.57 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.972 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -88.69 160.22 17.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 120.959 0.409 . . . . 0.0 110.722 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.38 157.27 34.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.318 171.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -63.06 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -26.14 72.73 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.982 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.27 -40.66 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.995 0.397 . . . . 0.0 110.842 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' VAL . 54.2 t -65.48 -49.61 77.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.485 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -64.42 -24.73 67.73 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.699 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.5 ' HB3' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -68.04 -38.43 82.51 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 175.586 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.639 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -72.37 -35.77 68.56 Favored 'General case' 0 CA--C 1.519 -0.215 0 O-C-N 123.159 0.287 . . . . 0.0 110.766 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.83 HG22 HG11 ' A' ' 30' ' ' VAL . 35.8 t -59.83 -53.88 42.32 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.644 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -67.17 -33.48 75.5 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.501 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -57.26 -51.03 71.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.136 0.425 . . . . 0.0 111.359 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 17' ' ' LEU . 94.2 t -73.76 -39.38 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.511 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -66.47 -33.0 74.72 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.809 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . . . -69.14 -30.94 69.3 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.452 0.301 . . . . 0.0 111.785 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.67 82.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 109.873 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.87 -37.13 70.23 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.535 ' HB2' ' HA ' ' A' ' 60' ' ' ALA . 60.3 mt-10 -61.22 -46.79 88.98 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.636 0.774 . . . . 0.0 111.207 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.99 -33.51 73.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.414 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.856 -179.437 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.8 119.62 34.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.011 0.434 . . . . 0.0 110.432 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' B' ' 78' ' ' LEU . 28.9 m -93.07 143.72 10.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 120.5 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.164 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.777 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -133.71 149.01 51.5 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.154 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.618 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 61.2 t -78.8 115.69 21.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.474 ' HB2' HG22 ' B' ' 74' ' ' VAL . 14.2 mt -157.84 142.72 12.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.43 166.35 23.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.525 2.15 . . . . 0.0 112.847 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -23.69 64.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.301 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.09 -38.79 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -72.88 -31.28 64.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.764 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -62.54 -23.06 66.77 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.134 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.55 -45.7 66.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.222 0.534 . . . . 0.0 110.507 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -84.46 -32.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.102 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 73.9 t -62.96 -31.62 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -39.76 89.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.13 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -76.02 -29.42 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -72.21 -33.8 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.4 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.877 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 19.1 tt0 -64.86 -43.48 92.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.392 176.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.44 67.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.959 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -42.07 63.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.26 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.65 74.78 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 174.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.851 179.053 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.467 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.594 HD22 ' HZ3' ' B' ' 59' ' ' TRP . 0.6 OUTLIER -151.86 176.1 11.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.102 -175.188 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.224 -173.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.622 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.3 tt0 -64.85 -24.36 67.52 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.209 0.318 . . . . 0.0 111.614 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -46.54 89.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -78.87 -25.88 43.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.727 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.622 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 69.1 t80 -65.16 -38.56 90.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.339 175.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -36.3 83.48 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.847 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.56 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -75.18 -49.16 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.907 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.488 HG21 HG23 ' B' ' 24' ' ' ILE . 7.0 pt -74.78 -9.83 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -175.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.67 -6.84 57.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.455 0.645 . . . . 0.0 111.168 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.3 39.34 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.76 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -130.53 126.28 36.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 111.35 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -100.99 83.89 2.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.194 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.576 HG22 ' HB3' ' B' ' 17' ' ' LEU . 2.8 m -129.37 166.14 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.76 -175.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 154.59 50.55 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.133 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -60.11 -26.75 66.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.581 . . . . 0.0 111.962 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.32 -48.22 82.69 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.071 0.232 . . . . 0.0 110.908 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.508 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -61.23 -41.01 96.12 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.643 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.488 HG23 HG21 ' B' ' 14' ' ' ILE . 31.8 mt -69.83 -43.61 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.43 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.04 -29.27 66.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.416 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 27.8 mm -65.55 -49.08 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.54 70.8 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.809 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.656 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 4.3 ttt180 -61.15 -28.76 69.35 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.089 0.556 . . . . 0.0 112.134 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.83 -29.33 4.69 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.015 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.797 HG11 HG22 ' B' ' 55' ' ' VAL . 0.9 OUTLIER -74.92 -49.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 122.424 0.289 . . . . 0.0 111.638 -173.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.54 1.94 13.71 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.7 t -97.46 -52.26 9.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 O-C-N 121.829 -0.544 . . . . 0.0 109.843 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -83.61 -37.3 23.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.925 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 94.16 49.68 2.39 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.29 -177.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 31.0 mmtm -99.54 144.8 28.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.702 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 34.3 Cg_exo -57.3 135.49 70.52 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.103 2.535 . . . . 0.0 112.742 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.403 ' HG2' HG21 ' B' ' 55' ' ' VAL . 0.3 OUTLIER -76.64 -30.39 56.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.256 -174.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.75 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -27.1 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.341 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -35.7 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.84 82.33 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.975 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -35.33 63.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.743 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -68.27 -50.91 50.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.1 43.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.034 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.9 23.96 50.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.679 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -87.64 164.15 16.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.87 156.23 32.31 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -39.98 91.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.45 -28.92 72.96 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.94 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.16 57.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.861 0.33 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.437 ' O ' HG23 ' B' ' 55' ' ' VAL . 70.6 t -64.98 -43.64 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 m -65.8 -29.8 70.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.581 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -69.46 -33.99 73.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.058 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -68.02 -39.96 83.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.03 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.797 HG22 HG11 ' B' ' 30' ' ' VAL . 2.7 t -62.84 -49.35 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.923 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.86 -44.04 91.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.295 -175.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -66.87 -48.89 67.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.612 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.54 -43.59 62.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.296 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.594 ' HZ3' HD22 ' B' ' 5' ' ' LEU . 58.4 t-105 -65.21 -42.67 93.27 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.124 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 63' ' ' GLU . . . -63.74 -28.91 70.2 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.79 90.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.061 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 53.6 t80 -68.84 -35.35 76.85 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.159 0.504 . . . . 0.0 110.183 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 60' ' ' ALA . 36.8 mt-10 -67.82 -28.54 67.66 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.601 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.314 0.578 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -122.51 108.71 13.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' A' ' 78' ' ' LEU . 35.7 m -84.96 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.75 0.786 . . . . 0.0 111.153 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.22 115.5 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.898 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.6 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -139.59 166.0 25.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.64 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.877 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 46.8 t -78.23 112.35 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' B' ' 79' ' ' PRO . 0.1 OUTLIER -149.37 145.27 18.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.616 ' HD2' HD12 ' B' ' 78' ' ' LEU . 45.9 Cg_endo -69.72 170.91 15.43 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.209 1.94 . . . . 0.0 112.804 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -20.08 64.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.54 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.116 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.125 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.621 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -65.2 -23.91 67.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.079 -177.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -55.09 -46.47 75.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.263 0.554 . . . . 0.0 110.415 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.81 -26.37 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.697 -177.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.777 HG13 ' HB2' ' A' ' 76' ' ' ALA . 3.5 t -62.94 -36.62 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -42.16 76.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -38.9 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.879 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.53 -27.34 66.02 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.221 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.618 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -56.63 -50.57 71.63 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 176.505 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.46 -22.62 43.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.733 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -36.89 59.2 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 175.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.654 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 91.9 mtt180 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 21.5 tp -119.22 155.75 31.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.782 -175.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.0 p -99.06 162.52 13.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.228 -0.295 . . . . 0.0 111.493 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -51.32 -47.81 62.56 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.245 0.545 . . . . 0.0 110.55 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -56.5 -54.52 44.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.733 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -71.87 -23.43 61.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.334 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.23 -45.62 87.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.111 0.481 . . . . 0.0 110.07 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -64.69 -38.79 92.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.219 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.55 -27.78 63.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.693 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.5 21.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.487 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' GLN . 28.9 pt -70.39 -45.8 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.416 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 14' ' ' ILE . 23.8 tt0 45.56 -90.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.991 0.916 . . . . 0.0 113.021 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.36 22.88 3.5 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.281 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -71.09 138.4 49.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.326 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.09 83.54 7.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.534 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.91 142.66 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.134 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.69 143.62 38.82 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.324 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -56.34 -23.38 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.068 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 26' ' ' ILE . 2.9 tp-100 -59.3 -51.22 70.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.879 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -28.72 63.37 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.135 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 21' ' ' GLN . 78.7 mt -64.0 -46.76 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.351 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.96 -25.76 65.6 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 22' ' ' GLN . 86.4 mt -66.36 -51.11 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.33 68.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.887 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.681 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 6.9 tmm_? -62.22 -29.28 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.003 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -107.19 -36.67 2.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.798 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 37' ' ' GLN . 3.0 t -68.01 -44.45 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 122.935 0.494 . . . . 0.0 111.569 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.762 HD21 HG23 ' A' ' 55' ' ' VAL . 64.5 mt -97.35 -53.55 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.68 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.681 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.5 t -62.73 -48.17 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.705 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.599 ' OD1' ' HG3' ' A' ' 35' ' ' LYS . 15.4 t70 -82.95 -36.42 25.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.506 0.669 . . . . 0.0 109.831 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.654 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 88.21 35.35 8.9 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.582 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.599 ' HG3' ' OD1' ' A' ' 33' ' ' ASP . 52.5 mttp -92.16 148.99 37.84 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.835 0.35 . . . . 0.0 111.391 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.47 123.42 11.27 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 112.091 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.535 ' HB3' ' CG1' ' A' ' 51' ' ' VAL . 1.1 mp0 -61.05 -35.58 77.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.78 -172.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.83 68.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.646 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -68.85 -41.54 78.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 110.269 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.444 ' HA ' HD13 ' A' ' 44' ' ' LEU . 92.3 m-85 -66.6 -37.24 84.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.954 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.17 -51.52 69.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.975 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -71.58 -46.08 60.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.817 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -73.69 -50.99 18.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 40' ' ' PHE . 8.2 mp -82.16 -15.29 53.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 111.089 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 42.44 6.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.075 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 51.7 mt -108.18 158.77 17.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -90.93 156.19 18.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 48' ' ' ARG . 2.7 ptm180 -61.3 -34.61 75.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.585 0.231 . . . . 0.0 110.945 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.68 -41.46 89.29 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.831 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.76 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 37' ' ' GLN . 84.5 t -60.64 -45.85 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.813 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.407 ' HA ' HG12 ' A' ' 55' ' ' VAL . 23.6 m -70.59 -28.09 64.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.627 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.12 -40.65 78.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.53 80.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.762 HG23 HD21 ' A' ' 31' ' ' LEU . 5.9 p -65.1 -38.54 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.503 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -66.94 -50.45 62.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -64.27 -50.73 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.3 -41.89 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.994 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.485 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 28.8 t-105 -67.85 -30.65 70.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.93 -35.77 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.61 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.209 0.528 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -65.69 -35.01 79.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.048 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.11 -47.24 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -35.49 80.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 178.844 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 34.9 ptt180 -86.05 110.94 19.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.628 0.728 . . . . 0.0 109.569 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.433 HG21 ' HB2' ' B' ' 78' ' ' LEU . 15.4 m -93.78 114.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.296 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -96.82 130.33 44.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.734 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.14 144.73 31.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.662 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.746 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 11.6 p -82.7 132.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' B' ' 93' ' ' ALA . 68.7 mt -156.68 136.98 8.86 Favored Pre-proline 0 C--N 1.316 -0.87 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.14 139.18 80.34 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.274 1.983 . . . . 0.0 111.6 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -44.64 -44.56 9.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.9 0.75 . . . . 0.0 112.284 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.91 -27.63 63.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.819 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -73.12 -27.67 61.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 111.186 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -61.75 -23.98 66.52 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.067 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -52.01 -47.6 64.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.419 0.628 . . . . 0.0 110.115 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 mt -84.49 -24.78 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.605 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.25 -38.66 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.636 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -63.12 -24.13 67.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.189 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -69.77 -48.37 59.55 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -63.36 -37.42 87.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -57.72 -46.15 84.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.872 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.67 -23.18 49.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.221 0.534 . . . . 0.0 111.068 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -73.88 -33.1 63.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.022 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.577 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -66.95 -38.94 87.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -76.78 -21.16 55.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.252 0.549 . . . . 0.0 110.091 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 24.4 ttpt . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.795 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.523 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 60.8 mtt180 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 19.6 tp -111.79 119.3 38.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -176.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -74.06 157.43 36.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.07 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -50.2 -42.2 50.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.759 0.314 . . . . 0.0 111.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -58.15 -55.07 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.123 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.84 -27.56 65.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.743 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CE2' HG23 ' B' ' 24' ' ' ILE . 64.6 t80 -65.5 -50.08 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.329 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -63.88 -35.28 80.13 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.659 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -64.22 -37.89 89.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.975 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.36 56.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 31.2 pt -74.84 -38.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.741 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 39.9 -92.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.213 1.005 . . . . 0.0 113.189 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.93 28.61 2.93 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.27 159.42 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.81 0.338 . . . . 0.0 110.569 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.6 84.84 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.55 128.24 60.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.378 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 158.22 46.01 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.8 -19.2 65.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 26' ' ' ILE . 6.4 tp-100 -65.5 -50.52 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.829 HG23 ' HA ' ' B' ' 54' ' ' ALA . 14.1 m -57.8 -40.86 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.115 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.463 ' HB ' ' HA ' ' B' ' 21' ' ' GLN . 75.3 mt -66.62 -50.72 63.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.509 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.69 -33.66 74.33 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.643 HG21 ' HA ' ' B' ' 51' ' ' VAL . 85.0 mt -65.13 -48.18 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.24 -26.79 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.992 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.653 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 45.7 ttm-85 -73.03 -39.43 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.326 . . . . 0.0 110.922 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.76 -13.26 56.99 Favored Glycine 0 CA--C 1.51 -0.23 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.838 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.564 HG13 ' HG3' ' B' ' 37' ' ' GLN . 2.1 t -99.78 -48.97 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.268 -0.466 . . . . 0.0 110.736 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.628 HD21 HG23 ' B' ' 55' ' ' VAL . 95.3 mt -94.82 -52.84 4.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.57 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 48.1 t -62.9 -39.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.257 0.551 . . . . 0.0 111.347 -177.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -80.35 -21.24 42.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.659 0.742 . . . . 0.0 109.945 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.523 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 67.89 47.46 60.33 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.629 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -119.06 138.77 26.54 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.343 -0.428 . . . . 0.0 111.007 -173.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.7 123.74 6.19 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.503 2.802 . . . . 0.0 112.003 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.564 ' HG3' HG13 ' B' ' 30' ' ' VAL . 1.5 mp0 -57.5 -38.52 74.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.373 -169.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.2 69.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.431 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.7 m -65.22 -41.14 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 19.4 t80 -70.46 -39.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 109.604 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -61.37 -47.62 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.802 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -65.86 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.501 ' HB3' HD12 ' B' ' 44' ' ' LEU . 7.8 t -71.04 -54.77 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.294 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 43' ' ' SER . 6.9 mp -89.59 -1.34 57.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.85 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.35 38.32 39.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.32 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 80.1 mt -95.19 158.39 15.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.203 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.2 p -86.61 155.18 20.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 48' ' ' ARG . 1.5 ptm180 -63.22 -31.78 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.681 0.277 . . . . 0.0 110.569 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.71 -36.48 82.76 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.069 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.51 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.269 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' B' ' 41' ' ' ALA . 78.3 t -62.79 -41.25 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.475 ' HA ' HG12 ' B' ' 55' ' ' VAL . 42.7 m -68.82 -33.11 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.21 -44.98 96.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.462 . . . . 0.0 110.24 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.829 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -61.91 -49.21 77.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.504 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.628 HG23 HD21 ' B' ' 31' ' ' LEU . 7.1 p -68.93 -38.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.313 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -66.12 -51.49 57.42 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' B' ' 57' ' ' ARG . 9.1 mmt180 -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.12 -45.9 95.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.88 0.372 . . . . 0.0 110.519 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -66.03 -36.76 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.676 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.54 83.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.129 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.46 97.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.075 0.464 . . . . 0.0 109.892 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.09 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.197 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.91 -49.96 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.234 0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -177.246 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.542 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 34.5 ptt180 -79.37 104.66 10.14 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.79 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 83' ' ' ALA . 21.8 m -91.08 124.44 43.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.6 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.3 p -87.91 122.72 31.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.138 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -129.26 173.59 10.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.502 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.485 HG13 ' HB3' ' A' ' 93' ' ' ALA . 12.2 p -124.55 135.39 64.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 93' ' ' ALA . 44.0 mt -163.59 160.58 17.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.52 138.05 79.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.112 1.875 . . . . 0.0 111.817 175.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -56.38 -32.71 65.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.191 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -73.59 -21.44 60.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.009 0.433 . . . . 0.0 110.826 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.2 -26.65 62.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.36 59.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.122 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' TYR . . . . . 0.481 ' HD2' HG12 ' B' ' 85' ' ' ILE . 36.9 t80 -53.83 -46.65 71.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.319 0.581 . . . . 0.0 110.446 176.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.481 HG12 ' HD2' ' B' ' 84' ' ' TYR . 3.7 mt -84.07 -27.86 7.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.942 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.75 -34.69 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.874 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -58.25 -34.7 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.488 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.02 -47.22 53.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.206 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.413 ' HD1' ' O ' ' B' ' 85' ' ' ILE . 36.7 m95 -62.12 -41.22 98.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.628 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.746 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 37.7 tt0 -59.42 -43.01 93.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.94 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.114 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -37.85 77.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.423 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.503 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.231 0.538 . . . . 0.0 110.483 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 5' ' ' LEU . 7.7 tp -115.18 154.58 28.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 154.65 35.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.455 173.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.55 -25.81 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.705 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.89 60.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.107 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -75.14 -25.3 58.28 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.03 -47.1 78.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -42.35 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.956 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.75 83.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.702 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -84.76 -8.02 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -33.13 71.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.194 0.521 . . . . 0.0 110.826 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.63 23.49 34.78 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.112 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -130.96 120.25 23.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.041 0.448 . . . . 0.0 110.923 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.09 84.22 6.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.472 0.653 . . . . 0.0 109.765 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.34 163.66 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.785 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 136.34 46.4 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 114.948 -1.023 . . . . 0.0 112.991 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -66.91 -20.98 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.36 0.264 . . . . 0.0 111.277 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.29 -46.04 88.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.45 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.745 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -71.4 -30.35 66.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 21' ' ' GLN . 88.5 mt -66.15 -40.35 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.291 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.01 -27.11 66.28 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.387 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 23' ' ' THR . 39.7 mt -71.9 -49.79 42.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.269 177.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -64.85 -19.7 66.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.579 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.4 ttt85 -58.43 -29.09 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.16 -45.54 1.0 Allowed Glycine 0 C--O 1.224 -0.484 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.224 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 55' ' ' VAL . 30.4 m -75.82 -21.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 117.343 0.572 . . . . 0.0 112.402 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 1.1 tt -108.29 -50.58 3.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.221 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.4 t -68.07 -48.67 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.066 0.46 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.84 -12.39 39.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.25 33.33 77.77 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.63 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -85.7 158.47 56.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.434 0.117 . . . . 0.0 111.153 -173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.19 151.18 86.13 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.009 2.473 . . . . 0.0 113.274 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.3 -30.3 33.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.118 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.77 84.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.071 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -39.96 80.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -33.75 76.5 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.71 79.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.117 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -28.38 64.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -73.48 -42.62 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -93.91 -22.64 18.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.7 36.17 4.89 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.071 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.09 172.19 7.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.799 0.333 . . . . 0.0 110.608 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 156.23 17.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -59.88 -37.94 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.048 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -29.34 72.61 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.413 0.446 . . . . 0.0 113.19 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.27 -36.12 63.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.101 0.477 . . . . 0.0 110.206 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 26' ' ' ILE . 73.0 t -68.89 -42.16 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.015 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.513 ' HA ' HG23 ' A' ' 55' ' ' VAL . 8.0 p -72.39 -22.14 61.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 111.337 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -32.32 70.45 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.528 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -68.32 -36.96 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -63.89 -44.41 98.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.44 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.54 -45.59 86.48 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.743 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -60.29 -54.14 49.31 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.85 -36.94 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.121 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.425 ' HE3' HD11 ' A' ' 31' ' ' LEU . 27.9 t-105 -63.52 -42.64 98.46 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.402 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -32.03 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.129 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.94 87.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.065 0.459 . . . . 0.0 110.56 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -63.97 -43.47 95.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.673 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.42 -31.5 68.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.32 -38.24 78.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.435 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 tptt . . . . . 0 C--N 1.333 -0.134 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.915 178.333 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HB3' HG22 ' B' ' 75' ' ' THR . 0.0 OUTLIER -99.19 118.14 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.492 177.56 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -86.35 133.84 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.992 0.425 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.42 114.91 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.358 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.769 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -121.55 150.98 40.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.82 177.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.614 HG23 ' HG2' ' B' ' 90' ' ' GLU . 40.7 t -79.38 118.12 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HB2' HG22 ' B' ' 74' ' ' VAL . 3.3 mt -161.29 148.3 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.98 165.11 19.87 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.847 2.365 . . . . 0.0 113.108 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.41 -18.35 63.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.579 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.7 88.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 176.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -26.18 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.285 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -59.33 -22.84 61.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.89 -46.46 71.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.166 0.508 . . . . 0.0 110.625 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -82.99 -31.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.583 -178.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.682 HG13 ' HB2' ' B' ' 76' ' ' ALA . 54.9 t -62.86 -37.23 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.924 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 87' ' ' ARG . 2.1 ttt85 -62.61 -36.37 82.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -71.59 -39.93 70.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.746 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -73.26 -30.68 63.6 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.665 ' HG2' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -61.42 -42.21 98.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.384 175.343 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.68 -23.33 45.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.396 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -38.68 31.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.62 58.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.549 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -18.17 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.397 176.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.521 -0.157 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.166 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.64 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 4.0 mtp-105 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.087 0.47 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 9.0 tp -117.49 149.42 40.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.31 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 157.62 17.36 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.92 -31.87 72.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -51.35 62.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.45 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.445 ' HG2' ' HE1' ' B' ' 62' ' ' PHE . 7.9 mp0 -72.86 -26.95 61.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -65.93 -47.15 75.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.96 -31.57 66.42 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.56 -30.7 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.259 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.425 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -69.62 -46.79 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.036 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.06 0.36 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.915 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.59 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.509 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.81 37.46 3.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.33 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -132.24 133.14 43.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.628 0.251 . . . . 0.0 110.77 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.13 84.35 6.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.583 0.706 . . . . 0.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.48 142.48 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.695 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 159.56 52.87 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.57 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -66.09 -21.45 66.36 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.084 -0.558 . . . . 0.0 111.869 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -44.11 91.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.591 0.234 . . . . 0.0 110.612 176.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.21 -31.76 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.097 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' B' ' 51' ' ' VAL . 56.0 mt -71.94 -50.92 34.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' B' ' 31' ' ' LEU . . . -65.96 -23.86 66.68 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.679 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.6 -35.25 75.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.007 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.97 1.84 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.771 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.563 HG21 HG22 ' B' ' 55' ' ' VAL . 35.1 m -69.84 -34.11 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 20.4 mt -96.39 -59.28 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.246 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 6.4 t -66.18 -52.19 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.688 -175.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.583 ' HB3' ' HD2' ' B' ' 35' ' ' LYS . 1.1 t0 -82.61 -17.26 45.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.268 0.556 . . . . 0.0 110.346 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.64 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 74.78 44.61 24.69 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.775 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.583 ' HD2' ' HB3' ' B' ' 33' ' ' ASP . 2.0 mttt -92.61 146.27 32.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.75 149.55 89.51 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.703 2.269 . . . . 0.0 112.827 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -39.84 24.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.473 -170.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.94 90.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.849 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -36.03 78.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.239 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -40.94 98.51 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.91 -55.34 34.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.492 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -68.76 -32.22 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -73.17 -37.23 66.6 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -19.98 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.661 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.52 31.13 8.06 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.048 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.54 168.67 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 110.262 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.01 156.84 19.1 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.847 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.77 84.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.38 -32.12 71.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.992 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.6 64.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.993 0.396 . . . . 0.0 110.79 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.613 ' HA ' HD13 ' B' ' 26' ' ' ILE . 38.7 t -63.43 -47.85 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.033 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -68.24 -26.25 65.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -35.35 75.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.545 0.212 . . . . 0.0 110.684 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.21 81.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.563 HG22 HG21 ' B' ' 30' ' ' VAL . 27.9 t -59.71 -51.07 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.757 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -42.17 92.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.255 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' B' ' 57' ' ' ARG . 16.4 tpp180 -64.09 -50.12 69.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.6 t -71.32 -40.7 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.763 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.405 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 25.4 t-105 -65.73 -35.4 80.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.5 84.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.972 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.09 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.474 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.445 ' HE1' ' HG2' ' B' ' 9' ' ' GLN . 30.0 t80 -62.91 -42.93 99.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.71 -40.55 72.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.553 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.817 0.342 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -127.74 115.58 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.086 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.4 m -85.93 143.84 10.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -129.98 124.97 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.239 -177.69 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.682 ' HB2' HG13 ' A' ' 86' ' ' VAL . . . -134.5 155.6 50.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.824 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG2' ' A' ' 90' ' ' GLU . 21.8 t -77.91 123.21 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 173.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.671 HD22 ' HG3' ' B' ' 82' ' ' GLN . 17.9 mt -158.96 152.33 18.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.26 170.84 15.06 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.26 1.973 . . . . 0.0 112.724 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLU . . . . . 0.488 ' H ' ' HG3' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -69.33 -19.79 63.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.314 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -47.27 80.13 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.245 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.671 ' HG3' HD22 ' B' ' 78' ' ' LEU . 37.0 mm-40 -73.3 -31.3 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.111 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.607 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -64.08 -25.37 68.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.006 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -55.53 -48.76 74.17 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.168 0.508 . . . . 0.0 110.565 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -25.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.806 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.8 t -62.28 -39.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.807 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -68.83 -29.44 67.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.834 0.35 . . . . 0.0 111.028 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -42.51 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.241 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -70.22 -32.97 71.08 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.614 ' HG2' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -57.31 -44.83 84.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.084 178.419 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.02 -32.9 45.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.438 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -33.85 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 178.51 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 121.116 0.484 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 12.9 tp -101.82 148.0 25.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.538 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.14 157.53 30.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.554 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -63.01 -39.12 93.81 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.776 -175.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -36.96 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -78.29 -28.89 47.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.13 -40.6 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.23 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.62 88.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.273 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.67 -32.86 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.101 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.96 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.939 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.0 -17.51 8.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.32 113.37 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.64 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.6 1.34 62.11 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.245 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.4 mm? -103.76 145.02 30.7 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.683 0.278 . . . . 0.0 110.671 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -82.75 84.03 7.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.68 0.753 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.44 135.39 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.391 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.23 161.75 53.23 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.965 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.49 -32.03 73.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.04 -37.53 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 m -59.42 -45.13 92.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.152 0.501 . . . . 0.0 110.729 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -32.59 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -38.82 76.65 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.603 0.24 . . . . 0.0 110.8 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 HG21 ' HA ' ' A' ' 51' ' ' VAL . 37.9 mt -70.02 -50.22 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -65.58 -19.92 66.11 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.952 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -64.53 -29.64 70.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.985 0.421 . . . . 0.0 111.315 178.008 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.55 -32.15 2.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.818 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -71.97 -44.29 66.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.811 0.339 . . . . 0.0 111.054 -177.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD12 ' HB1' ' A' ' 27' ' ' ALA . 26.3 mt -94.44 -51.88 4.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.221 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 30.3 t -63.87 -38.68 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -93.26 -10.65 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.791 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 69.78 37.7 76.05 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.215 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -84.54 159.64 58.07 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.269 -0.466 . . . . 0.0 111.671 -172.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.36 144.16 50.04 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.728 2.285 . . . . 0.0 111.292 170.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.91 -36.04 67.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.0 -172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.22 93.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -41.18 94.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.914 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -40.7 69.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.057 -176.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -65.2 -51.79 58.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.674 -177.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -74.19 -27.0 60.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -80.72 -37.7 30.12 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.564 -0.455 . . . . 0.0 112.146 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -19.03 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.535 0.207 . . . . 0.0 111.513 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.78 14.4 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.477 -175.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.54 162.82 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.25 154.74 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -68.09 -38.28 82.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.52 0.2 . . . . 0.0 110.663 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.84 -29.25 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.586 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.96 -37.02 59.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.761 0.28 . . . . 0.0 110.951 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.511 ' HA ' HG21 ' A' ' 26' ' ' ILE . 52.3 t -69.08 -41.36 81.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.074 0.464 . . . . 0.0 110.266 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 55' ' ' VAL . 19.3 m -71.87 -22.02 61.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.386 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.84 -39.76 72.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 0.0 110.291 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.72 90.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.932 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.535 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 2.6 p -68.44 -39.39 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -51.31 57.68 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.149 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 2.0 tpt180 -68.55 -48.13 65.07 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.27 -42.67 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 110.98 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.14 -44.91 87.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.252 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.41 72.58 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.327 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.65 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.258 0.348 . . . . 0.0 111.023 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -70.35 -44.66 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.93 -35.67 81.9 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -73.26 -32.37 64.66 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.2 tttm . . . . . 0 N--CA 1.464 0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.344 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.583 ' HG2' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -83.48 103.58 12.94 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.5 m -92.21 148.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.303 -173.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.618 HG23 HG23 ' B' ' 75' ' ' THR . 0.2 OUTLIER -125.74 114.41 18.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.65 178.104 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -135.03 156.6 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.039 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.832 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 3.1 t -87.1 120.41 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -152.82 152.04 27.68 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.11 155.0 62.09 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 121.703 1.602 . . . . 0.0 111.168 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 1.4 tp10 -65.82 -19.2 65.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.082 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.14 -51.93 67.9 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 86' ' ' VAL . 20.6 mm-40 -73.03 -40.5 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.898 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -61.29 -22.71 65.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.809 -177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -52.27 -44.92 65.21 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.417 0.448 . . . . 0.0 110.737 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.64 -28.48 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 82' ' ' GLN . 29.9 t -68.11 -30.7 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -66.49 -31.5 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.649 0.261 . . . . 0.0 111.275 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.06 -37.5 64.23 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -67.7 -31.56 71.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.856 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 0.9 OUTLIER -64.26 -45.33 88.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.754 176.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.18 -30.37 68.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.991 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.39 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.823 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.57 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -69.91 -38.37 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.455 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 2.3 tptt -69.0 -33.44 73.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.874 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.888 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.224 0.535 . . . . 0.0 111.491 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -110.31 169.54 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.81 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.89 160.48 14.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.767 ' HG2' HG11 ' B' ' 32' ' ' VAL . 2.6 mt-10 -66.27 -23.76 66.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.18 24.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 0.0 110.968 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -25.27 63.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.564 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.39 -50.89 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.46 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.33 75.6 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.511 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -35.65 76.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.165 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.55 -41.97 53.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.965 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 pt -76.66 -14.83 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.55 111.58 9.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.402 . . . . 0.0 110.237 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.06 -5.06 41.84 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.4 OUTLIER -101.78 138.91 38.14 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 18' ' ' GLU . 3.0 pt-20 -86.71 84.51 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.22 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.33 135.74 62.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.978 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.18 160.34 53.88 Favored Glycine 0 N--CA 1.439 -1.149 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.237 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.03 -33.25 67.01 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.255 0.622 . . . . 0.0 112.259 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -60.93 -50.85 71.73 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.304 0.377 . . . . 0.0 111.157 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.514 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -63.41 -36.81 84.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 111.448 -179.19 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.33 -34.99 65.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.683 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -36.62 69.65 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' B' ' 23' ' ' THR . 26.6 mt -65.29 -50.51 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.211 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' B' ' 31' ' ' LEU . . . -63.14 -25.28 68.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.869 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.669 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.6 mtp180 -65.81 -28.55 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.502 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.568 ' HA3' ' HE2' ' B' ' 40' ' ' PHE . . . -104.57 -42.59 1.83 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.089 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.24 -40.56 87.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 123.068 0.547 . . . . 0.0 111.073 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.774 HD21 HG23 ' B' ' 55' ' ' VAL . 42.1 mt -96.86 -54.96 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.339 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.767 HG11 ' HG2' ' B' ' 7' ' ' GLU . 56.7 t -68.83 -37.47 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.613 ' HB3' ' HG3' ' B' ' 35' ' ' LYS . 3.6 t0 -94.15 -9.89 34.97 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.691 -0.631 . . . . 0.0 110.553 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 72.65 30.96 63.3 Favored Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.265 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.613 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 16.9 mttm -86.57 154.2 56.18 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.627 -0.287 . . . . 0.0 110.982 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.63 152.77 70.04 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.834 2.356 . . . . 0.0 112.706 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.18 -36.48 77.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.489 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.03 85.69 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.266 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.31 90.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.753 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.568 ' HE2' ' HA3' ' B' ' 29' ' ' GLY . 0.2 OUTLIER -69.34 -33.27 72.86 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.671 -175.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -60.17 -47.29 86.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -28.73 60.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.158 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.0 m -69.54 -47.22 64.42 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -17.38 17.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.682 -176.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.74 35.21 9.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.276 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.42 169.98 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.68 159.17 18.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 169.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -63.8 -34.45 77.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.659 0.266 . . . . 0.0 111.28 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.62 -28.62 67.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.339 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.37 -37.3 66.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.059 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' B' ' 26' ' ' ILE . 58.6 t -67.59 -43.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.182 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -72.67 -20.15 61.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.514 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.1 -33.89 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.92 71.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.728 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.774 HG23 HD21 ' B' ' 31' ' ' LEU . 1.5 p -68.68 -37.17 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -37.4 87.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.744 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -56.23 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.851 -176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.27 -44.68 72.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.879 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.69 -43.87 83.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.375 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.32 72.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 111.492 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.18 80.71 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -60.65 -45.48 93.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.15 -43.07 99.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.275 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.724 -177.257 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.235 0 CA-C-O 120.559 0.219 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.612 ' HD3' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -92.02 104.68 17.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 178.212 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.424 HG11 ' HB2' ' A' ' 83' ' ' ALA . 29.0 m -95.23 148.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.368 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' THR . . . . . 0.618 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.4 127.56 54.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.856 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -148.94 165.99 29.94 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.702 HG23 ' HG2' ' A' ' 90' ' ' GLU . 2.4 t -96.62 124.67 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 82' ' ' GLN . 0.1 OUTLIER -151.36 152.2 30.46 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -176.29 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.1 141.07 87.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.204 1.936 . . . . 0.0 111.531 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.52 -28.44 69.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.384 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -37.38 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 78' ' ' LEU . 0.5 OUTLIER -73.15 -38.21 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.319 175.397 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -62.27 -22.97 66.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.791 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -52.71 -45.41 66.91 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.559 0.537 . . . . 0.0 110.539 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.451 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -84.24 -31.62 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 -179.332 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 95.7 t -64.14 -34.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.917 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' B' ' 90' ' ' GLU . 8.4 tpt180 -60.47 -33.19 72.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.465 176.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -38.64 76.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 110.58 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -76.54 -30.06 56.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.34 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.832 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 31.7 tt0 -66.16 -48.38 70.94 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.349 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.9 66.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.58 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 -32.38 52.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.2 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 110.344 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD13 ' CH2' ' A' ' 59' ' ' TRP . 5.2 tp -89.31 169.46 11.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.572 -175.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -102.96 166.22 10.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.612 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -22.15 66.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.439 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.418 ' OG ' ' HB ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.89 -56.84 13.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.127 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -68.26 -32.65 72.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.454 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 87.6 t80 -60.35 -53.0 62.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.573 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -66.56 -30.36 70.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 -178.498 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 57.4 mt-10 -66.4 -38.3 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.95 -49.43 29.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.43 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -75.76 -22.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.5 tp60 -64.8 -34.2 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.892 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.3 15.89 62.38 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.833 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -128.31 162.89 26.0 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.092 0.472 . . . . 0.0 111.198 -177.134 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -113.82 92.55 4.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.206 174.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.14 147.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.53 157.14 45.08 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.455 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.62 -39.27 93.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.597 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -62.93 -44.03 97.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.799 0.333 . . . . 0.0 110.182 177.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -59.37 -39.05 82.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.781 177.506 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -69.17 -52.56 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.938 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 22' ' ' GLN . 3.5 pt-20 -61.03 -36.26 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.695 -174.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 85.7 mt -70.32 -48.32 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -60.52 -30.8 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.702 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.714 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 15.1 ttp85 -67.42 -29.38 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.7 -22.24 16.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.573 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 31' ' ' LEU . 2.2 t -84.93 -51.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.987 0.423 . . . . 0.0 111.069 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 55' ' ' VAL . 30.0 mt -92.6 -49.14 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.219 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 51.7 t -67.22 -29.89 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 111.32 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.61 -10.27 25.43 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.226 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 58.23 49.26 77.51 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.648 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -111.84 159.81 32.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.678 0.275 . . . . 0.0 111.468 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.59 133.19 41.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.895 2.396 . . . . 0.0 112.172 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.66 -30.9 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.033 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.44 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.242 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.336 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -41.45 95.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.008 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.21 73.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.113 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -32.3 73.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.948 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.3 m -78.63 -43.58 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.651 0.262 . . . . 0.0 111.343 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.401 HD23 HD22 ' A' ' 46' ' ' LEU . 3.4 mp -82.18 -22.96 35.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.709 0.29 . . . . 0.0 111.26 -176.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 15.26 71.28 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.408 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.433 HD21 ' HG2' ' A' ' 22' ' ' GLN . 3.6 mp -90.13 167.04 13.04 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.33 154.8 37.11 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -34.93 79.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.774 0.321 . . . . 0.0 110.584 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.253 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.45 72.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' HA ' HD13 ' A' ' 26' ' ' ILE . 76.2 t -66.57 -42.36 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 m -73.03 -20.78 60.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.74 -34.09 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.223 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.804 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -63.5 -49.21 74.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.132 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.649 ' HA ' HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.51 -38.49 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.475 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -41.15 96.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -75.98 -54.2 7.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.41 -46.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.729 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.563 ' HE3' HD13 ' A' ' 31' ' ' LEU . 18.6 t-105 -66.6 -37.71 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.02 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.07 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -63.11 -47.07 84.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.1 -42.83 95.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.117 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.81 -46.48 68.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CG ' ' HE2' ' B' ' 81' ' ' HIS . 35.8 t70 -67.51 -28.11 67.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.583 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -74.99 105.91 6.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.705 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.64 138.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.637 HG23 HG23 ' B' ' 75' ' ' THR . 0.0 OUTLIER -113.39 129.17 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.944 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.61 ' HA ' ' HG3' ' B' ' 90' ' ' GLU . . . -152.05 151.15 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.005 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 ' HB3' ' B' ' 93' ' ' ALA . 4.0 p -86.83 136.8 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.55 153.34 21.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.469 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 29.5 Cg_endo -64.99 136.02 46.59 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.855 1.703 . . . . 0.0 110.793 171.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -55.27 -29.26 57.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.629 -176.702 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 13.9 m80 -61.9 -51.02 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.469 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 3.9 mp0 -72.85 -30.32 63.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -63.35 -23.71 67.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.276 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -57.54 -35.64 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.507 176.653 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 mt -75.96 -37.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.541 . . . . 0.0 109.827 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.21 -31.13 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.725 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -41.03 67.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 176.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -78.9 -30.77 45.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.708 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.2 -32.68 69.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.842 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 4.3 tt0 -60.53 -41.4 94.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.125 0.488 . . . . 0.0 110.141 175.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.93 60.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.798 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.65 -46.73 74.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.31 75.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -67.6 -43.18 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.327 0.584 . . . . 0.0 109.969 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.613 ' HG3' ' HA3' ' B' ' 34' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.0 tp -126.29 146.85 49.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.76 157.43 23.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.122 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.58 ' HG2' HG11 ' B' ' 32' ' ' VAL . 8.2 mt-10 -59.46 -34.64 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.28 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.81 -32.61 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.447 ' CE2' ' HG2' ' B' ' 28' ' ' ARG . 44.5 t80 -60.25 -54.27 47.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.816 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -69.14 -26.64 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -37.65 82.14 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.749 177.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.71 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.364 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -80.56 2.04 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.18 -37.83 81.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.665 0.269 . . . . 0.0 111.608 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.42 7.28 36.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.742 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 17' ' ' LEU . 1.8 mm? -103.86 150.29 24.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.425 . . . . 0.0 111.843 -175.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.26 84.68 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.611 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.67 132.31 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.826 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.29 170.98 47.06 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.041 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -55.95 -44.02 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.033 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.417 ' OE1' HD21 ' B' ' 46' ' ' LEU . 28.1 mm-40 -60.81 -44.31 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.208 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.715 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -56.24 -42.96 78.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.934 0.397 . . . . 0.0 110.904 178.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.31 -53.63 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.3 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 43.3 mt-10 -62.44 -38.52 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.759 -174.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.647 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 75.5 mt -65.88 -47.24 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.621 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.431 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.4 -25.1 67.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.565 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 1.1 tmm_? -61.7 -28.73 69.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.916 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -103.77 -37.34 3.0 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.464 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.508 HG11 ' HB ' ' B' ' 55' ' ' VAL . 2.6 t -69.7 -51.87 37.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.837 0.351 . . . . 0.0 111.351 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.541 HD21 HG23 ' B' ' 55' ' ' VAL . 20.1 mt -90.5 -44.25 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.704 -173.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.9 t -73.75 -41.53 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.9 t0 -83.57 -12.34 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.613 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 65.84 50.53 52.63 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.168 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.591 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -120.08 154.18 55.65 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.627 0.251 . . . . 0.0 111.586 -171.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.591 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 12.3 Cg_endo -57.78 149.16 70.67 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.966 2.444 . . . . 0.0 112.203 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -86.32 -25.06 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.376 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.22 81.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.286 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.41 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.346 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.647 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 1.5 t80 -64.34 -43.05 95.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.55 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.778 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -59.28 -38.63 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.858 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -70.14 -42.76 72.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -17.48 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.454 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.76 29.19 39.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.227 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.437 HD23 HD11 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -100.44 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.29 154.02 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.01 70.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.24 -42.3 99.74 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.702 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.05 82.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.915 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.462 ' HA ' HD13 ' B' ' 26' ' ' ILE . 53.9 t -62.85 -45.48 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -19.23 62.68 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.903 0.382 . . . . 0.0 111.26 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.07 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.863 0.363 . . . . 0.0 110.136 175.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.715 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -62.75 -48.78 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.502 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.541 HG23 HD21 ' B' ' 31' ' ' LEU . 0.9 OUTLIER -62.59 -42.37 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.319 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.45 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.371 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -49.4 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.33 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.94 -41.79 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.6 -39.56 93.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.82 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.4 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.013 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.73 -47.7 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.53 -28.84 69.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.823 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.539 176.356 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 1.1 ttm-85 -75.3 105.87 6.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.816 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 m -103.19 137.31 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.283 0.564 . . . . 0.0 111.373 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' THR . . . . . 0.637 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -105.57 132.41 51.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.702 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.842 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -145.31 171.64 14.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.012 0.434 . . . . 0.0 111.076 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 t -110.97 126.77 68.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -151.24 155.43 34.68 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.84 132.89 44.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.11 1.873 . . . . 0.0 111.253 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -18.88 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.514 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' HIS . . . . . 0.446 ' HE2' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.978 174.671 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -73.18 -27.03 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.5 47.48 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' B' ' 87' ' ' ARG . 43.2 t80 -58.04 -41.61 83.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.832 0.349 . . . . 0.0 110.315 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.91 -28.99 15.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.212 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.37 -38.56 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.268 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' B' ' 84' ' ' TYR . 0.0 OUTLIER -57.64 -40.3 78.95 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 110.36 175.399 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -40.53 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.353 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -66.03 -35.14 79.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.61 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -62.57 -46.08 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 110.515 177.2 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -31.61 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.207 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.04 -35.95 72.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.233 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.629 ' HB3' HG13 ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.013 0.435 . . . . 0.0 110.341 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HG ' ' CZ3' ' A' ' 59' ' ' TRP . 6.9 mt -133.21 156.4 47.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.865 0.364 . . . . 0.0 111.254 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.31 155.91 17.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 166.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.04 -22.88 67.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.719 0.295 . . . . 0.0 111.617 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -46.89 77.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.178 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.54 -25.78 59.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.878 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 14' ' ' ILE . 44.3 t80 -67.57 -43.56 80.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.367 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -36.63 84.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.41 -37.04 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.061 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.95 -45.76 40.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.385 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 10' ' ' PHE . 19.0 pt -72.26 -39.23 63.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.57 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 1.6 mt-30 36.57 -109.18 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.422 1.089 . . . . 0.0 113.525 176.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -120.88 33.13 4.53 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.7 mm? -73.87 153.72 39.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.27 83.42 7.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.569 0.699 . . . . 0.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.99 137.57 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.506 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.51 144.56 35.85 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.399 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -61.41 -25.91 67.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.571 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.559 ' O ' HG12 ' A' ' 26' ' ' ILE . 4.0 tt0 -66.56 -47.65 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 174.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -67.49 -32.85 73.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 179.457 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 21' ' ' GLN . 90.7 mt -64.59 -41.75 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 110.262 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -33.58 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.193 176.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.615 ' HA ' ' HE2' ' A' ' 40' ' ' PHE . 27.8 mm -70.14 -46.72 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.96 70.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.715 176.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.67 -4.08 87.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.95 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG23 ' HG ' ' A' ' 31' ' ' LEU . 16.9 m -111.76 -49.0 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 117.795 0.797 . . . . 0.0 111.251 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 55' ' ' VAL . 13.1 mt -81.89 -59.27 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.499 0.19 . . . . 0.0 110.677 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -64.96 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.749 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.05 -34.71 64.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 98.05 51.02 1.53 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.594 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -143.24 159.96 53.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.921 0.361 . . . . 0.0 111.198 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.38 164.43 20.42 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.806 2.337 . . . . 0.0 112.692 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.635 ' HG2' HG21 ' A' ' 55' ' ' VAL . 22.2 mt-30 -74.26 -34.29 63.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.879 -174.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.65 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.104 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.22 90.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.465 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.615 ' HE2' ' HA ' ' A' ' 26' ' ' ILE . 1.8 t80 -67.91 -33.33 74.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -59.57 -42.36 92.28 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.92 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -28.76 67.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -73.45 -47.15 43.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.27 -20.86 19.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.677 0.275 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.49 31.74 7.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.783 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -95.23 167.62 11.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.715 0.293 . . . . 0.0 110.271 178.771 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.22 161.2 15.16 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -61.72 -39.91 93.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.75 93.59 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.072 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.78 -38.98 73.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 111.082 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 26' ' ' ILE . 90.5 t -69.31 -42.02 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.289 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 58.3 m -66.08 -22.95 66.43 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.847 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 10.1 tp-100 -64.76 -41.23 96.06 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -69.52 -43.68 72.56 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.054 178.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.658 HG13 HD21 ' A' ' 31' ' ' LEU . 59.3 t -61.02 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.302 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -62.75 -47.59 82.88 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.921 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HD3' ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -67.51 -43.11 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -174.516 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.5 t -76.59 -46.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.114 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CZ3' ' HG ' ' A' ' 5' ' ' LEU . 18.2 t-105 -65.42 -35.98 82.55 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.28 90.51 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.427 0.156 . . . . 0.0 111.328 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -28.57 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.21 -52.43 41.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.807 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.78 -27.85 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.334 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.04 -37.8 88.76 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.127 0.489 . . . . 0.0 110.388 174.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt . . . . . 0 CA--C 1.532 0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.013 177.829 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HB3' HG22 ' B' ' 75' ' ' THR . 4.8 mtt180 -95.78 116.32 28.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.041 0.448 . . . . 0.0 110.018 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.6 m -85.52 140.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.306 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.689 HG22 ' HB3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.93 125.82 32.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.351 -173.67 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -132.86 156.03 47.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.114 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' HB3' ' B' ' 93' ' ' ALA . 46.6 t -78.03 111.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD22 ' HG2' ' A' ' 82' ' ' GLN . 0.3 OUTLIER -155.53 150.78 21.1 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.288 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.493 ' HD2' HD23 ' A' ' 78' ' ' LEU . 40.7 Cg_endo -66.39 163.77 30.95 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.332 2.021 . . . . 0.0 113.465 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -69.91 -18.97 63.42 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.115 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -69.23 -34.8 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.643 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.701 ' HG2' HD22 ' A' ' 78' ' ' LEU . 26.6 tp60 -72.66 -31.5 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.06 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.45 -22.55 66.95 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.32 -47.23 72.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.189 0.519 . . . . 0.0 110.241 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.511 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -81.37 -32.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.545 -178.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.561 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 69.7 t -64.96 -33.29 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.814 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.55 91.43 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.889 176.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -28.0 56.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -74.39 -33.37 63.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.551 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 17.7 tt0 -72.57 -28.31 62.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.755 0.312 . . . . 0.0 110.528 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.99 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.274 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -27.04 36.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.871 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' B' ' 77' ' ' VAL . . . -69.32 -36.38 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.144 175.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -24.59 57.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 178.407 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.545 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.86 0.362 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 7.2 mt -120.54 155.47 33.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.18 169.86 10.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.028 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -35.89 78.92 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -77.98 -27.53 49.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.924 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.07 -35.6 76.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.695 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.32 -33.38 74.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.776 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.9 -49.21 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.09 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.05 -42.37 52.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 CA-C-O 119.238 -0.41 . . . . 0.0 111.731 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.522 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.4 OUTLIER 45.25 -104.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLY . . . . . 0.522 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -126.33 26.33 5.26 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 17' ' ' LEU . 1.9 mm? -70.14 140.95 52.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.78 0.432 . . . . 0.0 110.903 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 84.27 7.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.887 0.851 . . . . 0.0 110.335 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.97 140.05 49.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.604 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.64 50.33 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.663 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.97 -29.8 69.87 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.525 0.33 . . . . 0.0 111.476 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.51 ' O ' HG12 ' B' ' 26' ' ' ILE . 1.2 tp-100 -64.19 -48.08 77.3 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 174.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.573 HG22 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.93 -33.32 75.74 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.425 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.83 -44.26 89.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.101 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -26.58 68.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.757 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.584 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 11.2 mm -68.0 -49.82 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -30.01 68.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.88 -33.93 75.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.518 ' O ' ' HE2' ' B' ' 35' ' ' LYS . . . -88.58 -4.81 75.9 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.688 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.677 HG23 ' HG ' ' B' ' 31' ' ' LEU . 15.5 m -112.02 -48.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 117.563 0.682 . . . . 0.0 111.086 174.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.677 ' HG ' HG23 ' B' ' 30' ' ' VAL . 10.0 mt -83.3 -58.38 2.86 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.319 -0.238 . . . . 0.0 110.928 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 8.3 t -66.03 -36.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.889 0.376 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.05 -37.3 58.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.313 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.545 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 96.29 51.08 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.42 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' B' ' 29' ' ' GLY . 0.0 OUTLIER -147.58 153.48 43.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.975 0.388 . . . . 0.0 110.844 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.63 166.88 14.52 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.89 2.393 . . . . 0.0 113.368 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' B' ' 55' ' ' VAL . 10.0 mt-30 -74.48 -31.49 62.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.071 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.75 90.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.794 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -43.12 99.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.584 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -71.16 -34.16 70.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.147 -178.109 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.72 84.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.004 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -34.48 62.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 m -70.62 -54.64 11.2 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.85 -7.16 54.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.09 41.06 8.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.986 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.75 165.14 11.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.592 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 51' ' ' VAL . 0.0 OUTLIER -88.25 157.08 18.88 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.421 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -41.58 90.37 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.23 -25.92 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 113.028 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -40.32 60.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 110.888 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 47' ' ' THR . 19.6 t -66.78 -46.22 86.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.026 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 45.8 m -66.03 -22.44 66.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -44.58 72.06 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.656 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.573 ' HB2' HG22 ' B' ' 23' ' ' THR . . . -68.87 -40.01 79.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.591 HG13 HD21 ' B' ' 31' ' ' LEU . 89.4 t -62.72 -45.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.35 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -64.58 -44.0 92.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.752 -178.035 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -65.77 -51.42 59.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 111.565 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.63 -46.0 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.095 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.518 ' HZ3' ' HG ' ' B' ' 5' ' ' LEU . 14.9 t-105 -67.1 -36.88 82.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.0 91.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.02 -28.03 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -75.9 -56.25 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.09 -47.26 52.69 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 120.689 0.281 . . . . 0.0 111.32 -175.222 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.066 0.46 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.689 ' HB3' HG22 ' A' ' 75' ' ' THR . 58.6 mtt-85 -100.75 119.89 39.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.391 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 30.3 m -84.79 141.05 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -126.43 135.56 51.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.844 -173.318 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.4 29.92 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.466 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.551 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -78.8 108.15 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.158 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 mt -149.1 152.64 36.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.95 170.04 19.84 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.57 2.18 . . . . 0.0 112.829 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.89 -22.81 63.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.237 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -62.34 -48.65 78.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.633 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -72.78 -29.37 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.859 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.563 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -66.4 -23.18 66.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.062 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -53.24 -48.05 68.52 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.498 0.499 . . . . 0.0 110.856 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.439 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -76.53 -27.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 -178.461 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.73 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.67 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -25.17 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.21 -34.61 32.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -77.53 -21.49 52.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.386 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 10.4 tt0 -59.2 -44.66 92.24 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.752 0.657 . . . . 0.0 110.778 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.74 62.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.699 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.4 -30.79 37.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.354 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.232 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.765 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' HZ3' ' A' ' 59' ' ' TRP . 4.7 tp -111.05 160.82 16.5 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.806 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -99.92 167.13 10.71 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.81 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.98 75.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.443 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -77.01 -23.53 52.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.629 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.31 -40.68 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 110.25 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.61 -39.29 80.92 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.865 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -29.63 69.94 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.786 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . . . -75.66 -33.51 60.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.316 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 pt -106.1 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -48.04 70.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.93 -14.17 63.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.491 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.9 mm? -85.49 158.84 20.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.703 0.287 . . . . 0.0 110.569 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -109.26 91.62 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.0 109.706 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.13 142.5 37.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.26 143.49 44.56 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.342 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.57 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.58 0.352 . . . . 0.0 111.841 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -64.8 -50.87 65.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.492 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -66.32 -34.17 77.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.205 178.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.39 -35.46 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.854 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.41 -32.79 70.55 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.422 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 23' ' ' THR . 33.3 mt -71.83 -47.05 58.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.212 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' ' 30' ' ' VAL . . . -67.24 -19.87 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.712 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.67 -29.03 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 175.305 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.33 -45.29 1.72 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.829 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 27' ' ' ALA . 27.3 m -73.55 -24.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.24 0.52 . . . . 0.0 112.341 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD11 ' CE3' ' A' ' 59' ' ' TRP . 6.4 tp -107.43 -52.59 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 18.4 t -67.95 -50.09 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.78 -23.55 39.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 76.19 38.74 33.72 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.828 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -86.56 147.27 43.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.693 -0.253 . . . . 0.0 111.039 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.66 132.08 48.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.156 2.571 . . . . 0.0 112.936 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -73.47 -27.56 61.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.979 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HA ' ' HG3' ' A' ' 48' ' ' ARG . . . -65.36 -40.16 93.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -75.71 -39.06 58.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.762 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -33.33 75.39 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.222 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.673 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -61.45 -41.11 96.71 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.46 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -26.16 59.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.618 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -73.75 -44.26 56.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.693 0.282 . . . . 0.0 111.253 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -33.08 37.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.159 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.86 11.15 50.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.86 168.71 10.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 156.16 38.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -62.16 -37.97 87.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.005 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -25.62 72.98 Favored Glycine 0 C--N 1.335 0.482 0 O-C-N 123.62 0.575 . . . . 0.0 113.223 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.62 42.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.423 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 41' ' ' ALA . 54.9 t -72.4 -40.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.575 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.55 ' HA ' HG12 ' A' ' 55' ' ' VAL . 25.5 p -74.13 -17.49 60.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.29 -33.72 76.64 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.131 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -74.1 -45.1 51.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.821 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 52' ' ' SER . 8.1 p -66.0 -38.79 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -67.63 -41.57 83.7 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.521 177.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 1.4 tpt180 -62.2 -56.54 17.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -175.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.32 -40.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.011 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.492 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 44.1 t-105 -69.28 -31.51 70.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.36 92.48 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.648 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.21 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.42 -44.96 73.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.68 -27.84 64.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.92 0.39 . . . . 0.0 111.184 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -15.38 61.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 177.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.786 ' HE3' ' HA ' ' A' ' 13' ' ' ALA . 24.6 mttm . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -84.79 105.31 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.474 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.0 m -93.35 138.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.283 0.563 . . . . 0.0 110.748 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 132.32 53.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.6 171.3 14.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG22 ' HD2' ' B' ' 73' ' ' ARG . 6.6 t -109.16 125.67 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 77' ' ' VAL . 3.2 mt -156.85 152.18 21.84 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 123.491 0.495 . . . . 0.0 109.735 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.88 152.09 72.87 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.175 1.917 . . . . 0.0 111.53 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 3.0 mt-10 -72.29 -19.33 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.09 -37.03 84.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.848 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -73.3 -36.5 66.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.415 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.09 -22.58 66.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -52.5 -45.5 66.22 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.224 0.61 . . . . 0.0 110.353 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -33.84 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.575 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 92.9 t -66.41 -31.7 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.243 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 88' ' ' LYS . 25.0 mmmt -78.34 -34.17 48.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.128 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -69.88 -33.45 72.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.968 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -33.85 75.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.738 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.71 83.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.607 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -20.86 43.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.217 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -75.73 -27.22 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.335 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.16 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.692 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.1 mtp-105 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' B' ' 5' ' ' LEU . 6.2 tp -131.61 146.47 52.22 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.724 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 157.0 27.8 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.511 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.6 mt-10 -63.54 -23.24 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -49.46 68.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.746 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -77.82 -26.14 49.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 46.4 t80 -65.51 -47.72 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.208 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -70.03 -27.88 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.634 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -34.24 77.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.978 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.33 73.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.544 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pt -95.25 5.21 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.766 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.57 91.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.371 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.72 18.5 31.94 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -121.11 130.33 53.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.719 0.295 . . . . 0.0 110.464 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.493 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -92.0 84.61 5.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 110.206 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.79 152.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 141.86 43.92 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.247 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HA ' HD12 ' B' ' 24' ' ' ILE . 8.9 mm-40 -62.02 -25.59 67.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.854 0.462 . . . . 0.0 112.191 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -44.68 89.74 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.014 0.196 . . . . 0.0 110.667 177.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.585 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.81 -35.15 78.11 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.947 0.403 . . . . 0.0 111.038 177.14 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 21' ' ' GLN . 85.8 mt -65.38 -41.96 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.475 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -26.29 65.47 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.778 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' B' ' 23' ' ' THR . 46.1 mt -71.54 -46.36 63.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 109.739 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.58 -19.74 65.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.464 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.572 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.3 mtp180 -61.15 -28.62 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.823 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.18 -48.57 1.43 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.834 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 m -77.22 -22.3 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 117.536 0.668 . . . . 0.0 112.702 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' B' ' 59' ' ' TRP . 0.4 OUTLIER -106.4 -50.2 3.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.73 0.3 . . . . 0.0 111.066 -177.764 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 79.1 t -71.18 -53.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.946 0.403 . . . . 0.0 111.337 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -81.82 -16.98 49.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.692 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 70.13 42.04 68.43 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.84 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -85.74 146.84 44.67 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.18 . . . . 0.0 110.728 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.59 132.68 47.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.96 -25.09 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.539 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.92 77.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.474 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -37.08 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.453 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.404 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.8 OUTLIER -66.33 -38.94 88.83 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.625 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -64.02 -51.91 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.406 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -23.63 60.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.7 m -76.2 -36.31 58.69 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.402 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.76 -5.44 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.55 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 23.28 68.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.497 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.99 167.8 11.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.909 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.04 154.99 35.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -69.23 -39.02 78.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.341 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.52 -26.55 72.94 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.568 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.7 58.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.718 0.294 . . . . 0.0 111.352 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.625 HG21 ' HA ' ' B' ' 41' ' ' ALA . 41.1 t -69.29 -40.27 80.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.271 0.558 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.4 m -73.22 -19.62 61.05 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.563 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -33.54 69.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.587 0.232 . . . . 0.0 110.86 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -43.53 70.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.339 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.25 -35.0 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.29 66.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.487 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -52.08 48.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.49 -43.73 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 123.249 0.343 . . . . 0.0 111.196 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.435 ' HB2' HD11 ' B' ' 31' ' ' LEU . 42.8 t-105 -64.09 -45.37 89.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.517 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.18 79.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.585 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.81 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.199 0.312 . . . . 0.0 110.977 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -72.84 -43.34 62.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.069 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.61 -35.23 70.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.407 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.481 ' HD2' HG22 ' A' ' 77' ' ' VAL . 2.0 mmm180 -96.57 104.76 16.77 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 83' ' ' ALA . 34.5 m -96.1 134.59 33.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.438 0.637 . . . . 0.0 112.001 -169.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.66 114.49 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.157 177.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.58 146.01 50.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.972 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -78.1 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.214 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.82 148.66 17.32 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.579 0.228 . . . . 0.0 110.642 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' B' ' 82' ' ' GLN . 28.5 Cg_endo -65.57 147.2 86.24 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.004 1.803 . . . . 0.0 110.78 169.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -35.62 70.05 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -42.41 80.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.554 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . 1.1 mm-40 -72.7 -29.52 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.46 66.62 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.002 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -53.07 -42.72 66.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.094 0.474 . . . . 0.0 110.396 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.424 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.3 OUTLIER -80.47 -28.72 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.958 -178.331 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.17 -32.69 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.964 0.411 . . . . 0.0 110.192 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -33.97 77.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.74 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -28.42 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.57 ' HA ' ' HB2' ' B' ' 92' ' ' ASP . 12.4 m95 -81.59 -19.95 40.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.35 -42.94 95.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.645 0.736 . . . . 0.0 109.283 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.15 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.948 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.57 ' HB2' ' HA ' ' B' ' 89' ' ' TRP . 1.2 t0 -70.69 -37.77 73.63 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 110.464 176.778 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.509 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 121.0 0.428 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 tp -117.15 165.23 13.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.455 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.74 162.73 13.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.924 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HG3' HG11 ' A' ' 32' ' ' VAL . 4.3 mt-10 -67.07 -36.6 82.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 111.099 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.1 75.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.141 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -77.91 -31.43 51.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.471 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -66.01 -47.55 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.132 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -32.4 72.66 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.81 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.35 -39.45 93.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -72.5 -45.22 60.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.756 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.99 3.86 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -58.63 6.09 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.07 16.47 20.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.239 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.6 mm? -92.93 121.41 34.25 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.23 84.58 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.341 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.03 29.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.242 177.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 146.12 43.88 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.897 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.22 -18.14 65.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.58 -44.5 74.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.326 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.644 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -73.2 -35.2 66.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.5 -36.37 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.743 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -34.49 77.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 23' ' ' THR . 34.6 mt -67.02 -50.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -67.52 -37.88 83.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -95.01 -31.76 7.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.05 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.799 HG11 HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -76.51 -43.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -176.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 92.2 mt -94.67 -55.87 2.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.408 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.473 HG11 ' HG3' ' A' ' 7' ' ' GLU . 4.9 t -69.67 -46.07 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -173.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 28.2 t0 -79.8 -21.15 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 0.0 109.881 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 86.17 51.05 3.66 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.995 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -103.73 133.97 19.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 120.411 0.148 . . . . 0.0 110.721 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 5.7 Cg_exo -76.2 57.1 5.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.649 2.9 . . . . 0.0 114.771 -175.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.21 -83.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 168.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -27.58 69.4 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -169.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.81 82.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.092 0.472 . . . . 0.0 110.645 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 1.6 t80 -69.91 -32.74 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.57 73.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.399 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.62 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -68.81 -44.24 73.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -90.95 -15.08 30.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 30.38 25.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.824 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.7 mt -108.16 163.43 13.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.85 155.95 32.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.411 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -66.05 -37.37 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.24 -34.64 69.5 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.811 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.14 75.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.622 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.523 ' HA ' HD13 ' A' ' 26' ' ' ILE . 22.8 t -62.12 -49.55 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.906 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 m -66.58 -26.09 66.95 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.677 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -33.55 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.83 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.593 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.5 -42.33 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.799 HG22 HG11 ' A' ' 30' ' ' VAL . 2.0 t -60.79 -43.27 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -65.27 -45.08 85.96 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -52.73 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.52 -39.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -67.91 -38.43 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.598 178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.04 89.62 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.708 0.289 . . . . 0.0 110.992 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -68.49 -37.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.688 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.42 -51.13 62.4 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.389 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -38.79 75.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.969 -174.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.33 -39.81 64.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.529 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 76' ' ' ALA . 40.1 ttp85 -101.52 115.93 31.62 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.456 HG12 ' HB2' ' B' ' 83' ' ' ALA . 35.5 m -90.13 106.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.373 1.082 . . . . 0.0 111.204 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -113.32 113.76 25.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.627 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.26 170.17 19.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.577 HG23 ' HG2' ' B' ' 90' ' ' GLU . 0.4 OUTLIER -91.11 136.2 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.773 176.669 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.543 ' HG ' ' HD2' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -157.1 147.55 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.847 -178.036 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.543 ' HD2' ' HG ' ' A' ' 78' ' ' LEU . 52.5 Cg_exo -55.74 132.97 55.27 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.267 1.978 . . . . 0.0 111.319 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -64.41 -22.83 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.803 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.21 -46.35 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.726 0.298 . . . . 0.0 110.68 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -71.94 -34.84 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.333 174.672 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB1' HG11 ' B' ' 74' ' ' VAL . . . -68.04 -22.68 64.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.278 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -53.42 -47.08 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.204 0.526 . . . . 0.0 110.302 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.814 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' GLN . 60.0 t -70.24 -31.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.281 177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -67.17 -27.67 67.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -33.07 35.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 109.924 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -70.9 -18.74 62.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.927 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.556 ' CG ' ' HA ' ' B' ' 76' ' ' ALA . 0.5 OUTLIER -62.84 -50.45 70.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.597 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.88 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.983 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 11.6 t0 -78.89 -40.72 31.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.675 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.52 -35.44 73.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.926 0.394 . . . . 0.0 110.672 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.0 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.548 175.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.287 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 1.8 ttt180 . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -125.9 152.89 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.387 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 155.99 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.33 -22.86 67.09 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.35 86.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.717 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -78.34 -28.54 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.918 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -63.81 -47.14 82.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.73 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -35.02 79.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.272 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -65.19 -35.72 81.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.044 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.16 -41.53 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.209 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -90.99 -5.5 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -61.14 2.5 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.84 25.58 24.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.642 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.6 OUTLIER -113.13 126.51 55.53 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.899 0.381 . . . . 0.0 110.373 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.37 84.12 6.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.478 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.49 146.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.561 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 152.3 51.25 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.301 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.58 -17.39 64.8 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.6 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.672 0.272 . . . . 0.0 110.326 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.689 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.51 -40.71 96.14 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.257 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' B' ' 21' ' ' GLN . 30.8 mt -69.97 -34.45 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.768 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -38.19 65.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.568 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.543 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 60.6 mt -66.56 -50.11 69.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.23 -25.44 68.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.842 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -72.27 -38.07 68.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.04 178.332 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 -0.58 57.43 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.471 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.627 HG11 HG22 ' B' ' 55' ' ' VAL . 1.4 t -112.52 -48.64 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.828 HD21 HG13 ' B' ' 55' ' ' VAL . 63.1 mt -89.05 -52.67 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.079 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 23.8 t -67.51 -40.79 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.009 0.433 . . . . 0.0 111.331 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.43 -28.12 52.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.302 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.584 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 82.09 51.11 4.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.884 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 142.35 33.06 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.749 -0.225 . . . . 0.0 110.714 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.93 154.32 73.77 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.501 2.134 . . . . 0.0 112.366 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -29.75 69.12 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.204 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.46 92.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.209 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.01 -31.68 72.72 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.394 0.434 . . . . 0.0 111.694 -174.376 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.5 78.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.973 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -37.07 60.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.902 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -55.8 11.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 0.0 111.811 -176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -88.61 -10.5 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.125 -174.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 41.04 19.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.82 167.75 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.812 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.98 156.5 18.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.568 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -39.23 85.7 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.082 0.239 . . . . 0.0 111.609 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.39 -28.71 73.89 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.936 -0.574 . . . . 0.0 113.145 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.76 32.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.812 0.306 . . . . 0.0 111.167 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.45 ' O ' HG23 ' B' ' 55' ' ' VAL . 59.7 t -63.57 -49.5 82.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.366 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -71.67 -18.22 62.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.896 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -35.2 74.09 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.429 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.689 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -72.67 -38.34 67.63 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.828 HG13 HD21 ' B' ' 31' ' ' LEU . 21.2 t -60.59 -43.37 94.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.873 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.34 -51.15 62.51 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.576 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -49.52 74.09 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -170.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.06 -40.86 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.021 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.475 ' HE3' HD13 ' B' ' 31' ' ' LEU . 9.7 t-105 -68.97 -40.07 79.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.458 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.73 70.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.124 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -75.15 -33.07 61.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -31.01 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 174.753 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.637 0.256 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -89.71 105.91 18.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 170.161 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.653 HG11 ' HB1' ' A' ' 83' ' ' ALA . 4.5 m -88.2 140.63 15.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.568 -171.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -102.87 114.59 29.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.462 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.556 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . . . -128.75 169.01 15.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.485 ' H ' ' HG2' ' A' ' 90' ' ' GLU . 53.4 t -122.57 124.59 71.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.511 HD22 ' HG2' ' B' ' 82' ' ' GLN . 0.2 OUTLIER -158.94 155.52 24.69 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.005 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.45 ' HD2' HD23 ' B' ' 78' ' ' LEU . 51.3 Cg_exo -54.63 153.8 22.53 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.488 2.125 . . . . 0.0 112.653 177.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -18.46 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.385 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -62.54 -37.76 87.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.944 0.402 . . . . 0.0 110.539 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.511 ' HG2' HD22 ' B' ' 78' ' ' LEU . 19.7 tp60 -71.74 -39.93 69.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.6 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.41 -22.78 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.562 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.35 -49.56 64.08 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 123.469 0.48 . . . . 0.0 110.19 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.06 -32.66 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.348 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 93.5 t -64.92 -34.5 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 87' ' ' ARG . 4.8 ttm105 -67.43 -29.14 68.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -76.92 -30.43 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.274 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -79.37 -24.53 42.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.004 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.577 ' HG2' HG23 ' A' ' 77' ' ' VAL . 1.7 tt0 -64.75 -46.95 80.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.461 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.78 64.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.786 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -67.82 -49.87 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.736 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 179.193 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 5.0 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.707 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.1 tp -121.69 134.6 54.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.94 153.99 28.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.517 -177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -51.58 -46.49 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -67.22 -38.7 85.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.044 0.449 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CE1' HG11 ' A' ' 58' ' ' VAL . 83.6 t80 -57.92 -41.57 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.954 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -66.38 -42.53 87.79 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.15 -41.72 98.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.474 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -61.05 -49.57 76.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.927 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 pt -79.82 -26.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -59.09 -26.71 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.1 0.476 . . . . 0.0 111.946 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -93.75 3.77 71.44 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.004 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -121.14 158.24 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.312 0.577 . . . . 0.0 111.87 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 85.23 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.748 174.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.88 141.33 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.394 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.03 174.43 49.24 Favored Glycine 0 N--CA 1.438 -1.203 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.361 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.54 -36.93 81.96 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.067 -0.567 . . . . 0.0 111.968 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' HG13 ' A' ' 26' ' ' ILE . 37.2 mt-30 -58.8 -51.08 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 54' ' ' ALA . 42.1 m -59.2 -39.53 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.633 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.17 -51.04 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.83 -31.81 72.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.458 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 88.0 mt -66.59 -49.15 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.615 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.431 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.691 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 24.5 ttm-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.216 0.532 . . . . 0.0 110.151 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.98 -46.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.081 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 55' ' ' VAL . 2.6 t -61.97 -41.45 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 123.224 0.61 . . . . 0.0 111.825 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.615 HD12 ' HB1' ' A' ' 27' ' ' ALA . 73.4 mt -98.34 -54.25 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 41.7 t -67.33 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -172.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.23 -10.52 44.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.524 0.678 . . . . 0.0 109.949 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.474 ' N ' ' HG3' ' A' ' 4' ' ' ARG . . . 68.26 28.37 73.34 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.878 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.719 ' HD3' ' HD1' ' A' ' 40' ' ' PHE . 37.8 tttp -76.87 133.94 69.13 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 114.756 -0.722 . . . . 0.0 110.63 -172.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.444 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 75.8 Cg_exo -50.35 127.08 19.18 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 123.133 2.555 . . . . 0.0 112.419 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.1 -37.57 85.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.194 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.8 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.317 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 p -66.33 -24.55 66.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.718 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.719 ' HD1' ' HD3' ' A' ' 35' ' ' LYS . 12.9 t80 -70.99 -51.49 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -53.35 -49.71 66.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.348 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -61.94 -32.05 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.81 0.338 . . . . 0.0 111.491 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.449 ' HB3' HD22 ' A' ' 44' ' ' LEU . 20.6 t -79.37 -44.55 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 111.023 -176.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 43' ' ' SER . 3.0 mm? -94.01 -4.26 49.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.845 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.18 34.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.761 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 27.6 mt -96.39 163.73 12.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.452 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -89.28 156.51 18.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.637 ' H ' ' HD2' ' A' ' 48' ' ' ARG . 3.4 mpt_? -62.99 -39.05 93.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.11 0.481 . . . . 0.0 109.826 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.11 -40.65 98.29 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.77 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.48 93.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.882 0.341 . . . . 0.0 111.067 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' ' 41' ' ' ALA . 45.5 t -66.39 -45.51 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.345 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 55' ' ' VAL . 41.2 m -62.87 -30.05 71.22 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.762 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.7 tt0 -67.89 -46.78 70.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.767 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -64.5 -43.66 93.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.554 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.587 HG23 HD21 ' A' ' 31' ' ' LEU . 6.2 p -66.83 -45.17 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.238 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -66.56 -46.03 77.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -58.31 -57.86 11.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -173.434 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG11 ' CE1' ' A' ' 10' ' ' PHE . 77.0 t -64.63 -43.76 96.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -176.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 60.0 t-105 -64.5 -44.93 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.523 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -38.66 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.09 93.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.537 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.4 -47.87 83.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.181 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.73 -35.37 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.717 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.43 -41.55 84.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.156 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -121.41 131.7 54.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.113 0.482 . . . . 0.0 110.0 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.631 HG12 ' HB2' ' B' ' 83' ' ' ALA . 33.4 m -97.66 148.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -135.94 133.17 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.766 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' HB2' ' CG1' ' B' ' 86' ' ' VAL . . . -148.87 153.94 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.342 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.648 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 50.3 t -79.31 122.32 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 171.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 mt -151.26 153.69 32.9 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.02 139.74 60.8 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.058 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.82 -29.97 65.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.192 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -71.56 -24.41 61.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.1 mm-40 -71.52 -27.95 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.278 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.588 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.19 -24.87 65.12 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.74 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -56.4 -47.2 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.507 0.67 . . . . 0.0 109.991 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' H ' HG13 ' A' ' 85' ' ' ILE . 2.4 mt -83.58 -28.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.938 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 72.0 t -61.92 -43.27 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.659 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 87' ' ' ARG . 38.3 ttp180 -63.18 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -62.33 -50.99 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.272 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -61.58 -39.56 91.62 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.738 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.777 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.1 tt0 -55.54 -48.06 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.256 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.82 44.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.76 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -70.67 -42.48 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.196 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.483 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.44 -43.11 91.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.386 . . . . 0.0 110.845 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -66.65 -23.41 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.114 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 179.382 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.505 ' HG3' ' CA ' ' B' ' 34' ' ' GLY . 12.6 ttm180 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.893 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 30.4 tp -128.61 156.04 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.25 154.12 19.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 31.7 tt0 -61.79 -19.72 62.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.673 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.8 p -68.25 -54.28 18.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.504 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -71.02 -28.63 64.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.13 0.491 . . . . 0.0 110.386 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 84.6 t80 -59.21 -41.25 88.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.264 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -71.71 -37.89 70.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.14 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.24 -39.4 90.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.967 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.12 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.044 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 45.1 pt -75.29 -16.49 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.86 -28.22 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 111.387 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLY . . . . . 0.422 ' C ' HD22 ' B' ' 17' ' ' LEU . . . -89.04 2.49 84.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.39 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.422 HD22 ' C ' ' B' ' 16' ' ' GLY . 3.6 mm? -123.39 144.73 49.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.636 0.255 . . . . 0.0 110.966 -177.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -92.79 82.76 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.252 1.025 . . . . 0.0 109.67 170.582 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.621 HG23 HD11 ' B' ' 24' ' ' ILE . 6.4 m -114.74 135.48 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.204 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 171.62 55.16 Favored Glycine 0 N--CA 1.433 -1.544 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.699 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.36 -27.04 67.08 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.859 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.1 -40.89 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.466 HG23 ' HA ' ' B' ' 54' ' ' ALA . 25.7 m -79.99 -38.34 32.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.323 0.582 . . . . 0.0 110.33 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.621 HD11 HG23 ' B' ' 19' ' ' VAL . 59.0 mt -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.862 -174.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.13 -34.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.604 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 57.5 mt -72.15 -49.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.58 -29.44 70.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.091 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.473 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 49.7 ttm-85 -59.83 -29.42 68.25 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.899 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.8 -46.97 0.99 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.984 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.14 -43.44 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 C-N-CA 123.007 0.523 . . . . 0.0 111.715 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.672 HD21 HG23 ' B' ' 55' ' ' VAL . 69.9 mt -92.91 -60.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.489 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 26.1 t -63.38 -43.66 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.876 -173.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.5 -7.87 49.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 109.93 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 63.48 28.02 71.77 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.044 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -75.53 139.18 70.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.565 -0.318 . . . . 0.0 111.42 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' OG1' ' B' ' 39' ' ' THR . 50.3 Cg_exo -53.84 129.92 36.56 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.35 2.7 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.49 -39.97 92.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.208 -170.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.82 94.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.953 0.406 . . . . 0.0 111.355 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 1.3 p -74.61 -23.08 58.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.279 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 10.0 t80 -71.08 -50.65 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.833 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -51.18 -54.08 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.52 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.033 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -80.82 -38.75 27.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -99.75 3.48 44.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.34 34.58 50.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.809 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.833 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 25.0 mt -95.35 164.08 12.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.988 0.423 . . . . 0.0 110.352 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.2 p -98.21 166.31 11.46 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.725 ' HD2' ' H ' ' B' ' 48' ' ' ARG . 1.1 mpt_? -67.71 -37.31 82.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.0 -43.28 82.67 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.4 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.17 -46.05 91.03 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.707 0.254 . . . . 0.0 111.126 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.723 HG21 ' HB2' ' B' ' 41' ' ' ALA . 95.4 t -60.62 -45.56 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 110.557 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.4 m -66.3 -33.59 76.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.981 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.21 -45.38 73.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.857 0.36 . . . . 0.0 110.637 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.466 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -63.95 -45.12 90.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.443 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.672 HG23 HD21 ' B' ' 31' ' ' LEU . 7.3 p -67.77 -38.54 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.43 -50.6 64.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.006 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.19 -51.86 61.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.766 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.07 -46.05 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.747 0.308 . . . . 0.0 111.254 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.893 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 61.5 t-105 -65.35 -38.4 89.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.245 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.24 75.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.86 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.064 0.459 . . . . 0.0 110.204 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.19 -44.17 76.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.917 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.73 -42.72 93.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.328 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--N 1.327 -0.384 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.696 178.717 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 10.1 ptp180 -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.868 0.365 . . . . 0.0 110.258 177.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.7 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.176 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.4 m -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.716 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.508 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . . . -140.33 146.23 38.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.375 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.777 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 67.0 t -78.67 110.97 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.517 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -150.74 146.17 19.18 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.04 152.72 49.66 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 0.0 112.275 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.45 -27.43 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.124 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.18 -28.05 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.481 ' O ' HG23 ' B' ' 86' ' ' VAL . 84.4 mm-40 -72.1 -34.25 68.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.176 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.631 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -59.92 -23.38 63.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -176.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.46 -48.38 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.404 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.8 mt -84.61 -35.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.471 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 97.7 t -57.87 -42.58 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.87 -35.09 77.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.421 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -71.14 -43.68 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.644 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -65.68 -31.64 72.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 42.9 tt0 -60.53 -42.06 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.113 0.482 . . . . 0.0 110.129 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.0 -30.4 55.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.575 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.67 -37.58 86.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 110.742 177.678 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.795 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.171 0.51 . . . . 0.0 110.456 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 3.5 tp -121.35 145.68 47.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.096 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 8.3 mt-10 -64.14 -22.14 66.82 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -49.12 73.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -78.72 -23.89 45.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.748 179.291 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 65.0 t80 -63.14 -42.03 99.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.674 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -31.93 72.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.387 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.52 -38.63 90.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.698 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.65 77.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.578 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.45 2.83 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.32 -37.05 84.48 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.722 0.296 . . . . 0.0 110.945 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.22 26.57 19.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.195 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -133.91 140.98 47.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.406 -179.108 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.61 85.35 2.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 171.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.91 173.42 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.788 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 135.72 45.95 Favored Glycine 0 C--N 1.315 -0.595 0 CA-C-N 114.418 -1.264 . . . . 0.0 112.311 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -71.74 -18.14 62.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.295 . . . . 0.0 111.513 -176.421 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -43.95 93.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 176.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -65.56 -35.6 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 177.037 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 21' ' ' GLN . 70.4 mt -68.27 -36.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.329 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.2 -37.32 85.29 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.474 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.676 HG21 ' HA ' ' A' ' 51' ' ' VAL . 21.5 mt -71.6 -49.44 46.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -21.03 66.14 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.966 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.14 -29.01 69.81 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 177.069 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 -26.32 5.55 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.292 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -86.3 -40.71 14.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.877 0.37 . . . . 0.0 111.061 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.421 HD12 HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -94.68 -45.77 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.178 -177.102 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 55.2 t -74.35 -56.22 9.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 111.611 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -28.59 61.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.463 0.649 . . . . 0.0 109.741 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.795 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 77.55 43.57 15.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.146 -0.933 . . . . 0.0 112.022 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -90.1 144.42 31.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.189 . . . . 0.0 110.73 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 53.1 Cg_exo -55.79 130.77 42.16 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.126 2.55 . . . . 0.0 112.441 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.05 -30.85 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.098 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.37 66.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.007 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -68.27 -34.15 75.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.645 -178.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.54 -38.38 90.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 110.633 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.57 85.4 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.428 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -30.2 64.91 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 -41.73 34.42 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.663 0.245 . . . . 0.0 111.663 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HB3' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -91.88 -7.62 48.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.77 19.72 62.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.118 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -93.82 161.21 14.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -177.557 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -83.6 157.78 22.15 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -33.26 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.57 73.72 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.708 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.99 -40.46 27.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.676 ' HA ' HG21 ' A' ' 26' ' ' ILE . 97.5 t -68.87 -40.46 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.98 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.477 ' HA ' HG12 ' A' ' 55' ' ' VAL . 14.7 m -74.21 -19.82 60.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.229 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -69.93 -39.02 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.12 -45.96 79.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.722 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 11.0 p -67.15 -36.58 77.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.162 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -66.15 -44.41 84.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.755 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.36 -57.31 5.46 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -171.28 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.38 -37.38 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.32 . . . . 0.0 111.283 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -61.41 -44.35 97.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.949 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.62 70.63 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.16 95.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.388 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.05 -32.35 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.803 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -45.4 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -71.78 -28.78 63.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.643 0.259 . . . . 0.0 110.885 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 105.89 11.44 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.55 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.9 m -106.48 129.55 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.712 0.768 . . . . 0.0 112.106 -173.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -105.13 132.26 51.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.04 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.55 158.78 44.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 20.4 t -86.04 122.14 38.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.96 146.43 18.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' B' ' 93' ' ' ALA . 34.0 Cg_exo -60.95 148.78 91.61 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.637 2.224 . . . . 0.0 112.134 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -65.03 -32.54 74.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.527 -176.62 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.46 -41.39 98.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -73.53 -29.95 62.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -66.82 -21.55 66.03 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.666 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -52.29 -44.14 64.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.123 0.487 . . . . 0.0 110.49 173.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.428 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -80.36 -36.18 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.19 -37.83 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.378 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -30.84 71.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.856 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -26.99 49.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.419 177.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -79.46 -17.66 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.474 ' HG2' ' HB1' ' B' ' 76' ' ' ALA . 38.2 mt-10 -58.74 -40.99 85.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.179 0.514 . . . . 0.0 110.772 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -23.07 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.98 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -25.98 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.69 71.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.212 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -75.94 -19.26 58.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.815 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.263 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.513 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 2.4 mtp180 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 5' ' ' LEU . 6.2 tp -135.89 149.64 49.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.047 178.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.79 159.17 25.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.9 -38.39 72.75 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -40.2 83.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.135 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.04 -26.92 48.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.993 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.49 -45.04 89.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -69.83 -26.87 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.935 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -33.51 73.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.51 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.26 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.561 ' HA ' ' HB2' ' B' ' 17' ' ' LEU . 2.5 pt -84.29 6.62 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -47.8 -49.85 27.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.944 0.898 . . . . 0.0 112.723 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.43 19.9 23.72 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.191 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' B' ' 14' ' ' ILE . 0.3 OUTLIER -94.75 99.41 11.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.167 0.508 . . . . 0.0 111.184 -177.423 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.05 84.15 4.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.005 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 m -129.14 178.75 4.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.914 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 132.35 35.77 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.415 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.834 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.2 tt0 -67.61 -17.56 64.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -58.91 -43.04 91.0 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.849 0.295 . . . . 0.0 110.774 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.681 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.3 OUTLIER -60.55 -40.1 90.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.136 0.493 . . . . 0.0 111.129 175.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' B' ' 21' ' ' GLN . 17.5 mt -69.95 -34.25 59.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.294 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 80.9 mm-40 -60.09 -41.98 93.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.854 0.462 . . . . 0.0 110.683 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' B' ' 54' ' ' ALA . 13.7 mt -72.4 -49.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.612 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.33 -22.35 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.437 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 3.8 ttm105 -65.8 -29.1 69.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.263 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.2 -31.42 3.31 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.631 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.6 -44.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.006 0.432 . . . . 0.0 110.542 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.596 HD11 ' HE3' ' B' ' 59' ' ' TRP . 0.9 OUTLIER -91.87 -45.32 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 15.9 t -76.3 -53.41 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 19.6 t70 -74.28 -29.21 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.253 0.549 . . . . 0.0 109.962 -177.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 83.99 43.61 7.08 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.899 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.477 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -96.92 140.18 21.97 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.391 . . . . 0.0 110.775 -178.019 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.477 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 88.7 Cg_exo -50.35 141.47 32.09 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.134 2.556 . . . . 0.0 112.578 173.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -76.93 -34.57 57.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.504 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.17 68.35 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -39.37 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.269 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.52 -32.52 73.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.957 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.26 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.72 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -46.52 33.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -63.37 -51.11 67.25 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' B' ' 46' ' ' LEU . 7.8 mt -95.66 -8.04 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.289 . . . . 0.0 111.543 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.22 33.53 32.1 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.336 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -89.92 168.88 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.243 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.99 169.88 10.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -46.63 81.94 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 111.053 -177.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.97 74.83 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.696 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.91 71.52 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.629 0.252 . . . . 0.0 111.371 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.65 -41.09 87.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 10.2 m -68.28 -27.16 66.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.474 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.535 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 5.4 tp-100 -66.83 -37.78 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.629 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.681 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -67.84 -45.84 73.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.973 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.35 -38.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.375 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -68.23 -47.47 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 179.307 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.0 OUTLIER -69.78 -46.72 65.13 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -171.793 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.75 -40.06 85.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.372 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.596 ' HE3' HD11 ' B' ' 31' ' ' LEU . 56.5 t-105 -60.01 -47.82 84.26 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.055 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -30.99 71.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.888 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.34 83.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.968 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -75.61 -36.63 60.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.961 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.5 -37.65 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.517 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 t0 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 110.986 178.403 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.12 104.45 16.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.426 HG11 ' HB2' ' A' ' 83' ' ' ALA . 27.1 m -104.11 116.74 48.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.314 -174.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -99.5 114.29 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.34 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.474 ' HB1' ' HG2' ' A' ' 90' ' ' GLU . . . -131.71 153.69 49.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.97 113.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 151.21 34.2 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.628 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.62 150.45 85.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.793 2.328 . . . . 0.0 113.12 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.87 69.58 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.899 -176.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -69.87 -39.2 76.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.893 0.377 . . . . 0.0 110.612 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -72.7 -26.83 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.908 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.55 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -62.89 -22.56 66.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.475 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.38 -46.96 69.84 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.423 0.63 . . . . 0.0 110.435 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.409 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.2 OUTLIER -79.95 -25.66 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.067 -177.757 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 45.9 t -69.61 -31.14 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -28.86 66.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -76.51 -33.82 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.038 0.447 . . . . 0.0 110.481 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -73.14 -26.72 61.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.128 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 3.5 tt0 -63.03 -35.35 79.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.961 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.65 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.492 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -31.48 38.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.125 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.632 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 2.9 mpt_? . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.6 tp -112.14 159.39 18.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.143 -176.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.2 151.64 22.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 42.9 mt-10 -68.57 -21.27 64.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.917 -172.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -63.56 -55.33 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -70.54 -23.88 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 24' ' ' ILE . 77.0 t80 -64.2 -45.95 86.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.577 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.47 -32.44 72.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.637 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 37.2 mt-10 -72.11 -43.93 63.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.02 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -61.26 -30.32 70.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.253 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 10' ' ' PHE . 41.5 pt -96.14 -11.91 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -42.49 -60.03 1.66 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.62 18.46 32.25 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.508 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -102.77 148.33 25.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 111.332 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.76 84.84 7.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.59 128.61 60.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.159 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.3 172.49 49.13 Favored Glycine 0 N--CA 1.433 -1.552 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.052 175.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -53.97 -37.32 63.84 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 123.756 0.327 . . . . 0.0 111.347 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 26' ' ' ILE . 95.6 mt-30 -59.23 -51.74 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.933 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' ' 54' ' ' ALA . 25.5 m -61.78 -38.6 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.409 0.623 . . . . 0.0 110.291 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 10' ' ' PHE . 75.6 mt -69.02 -46.97 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.843 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.74 -31.22 67.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.416 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 22' ' ' GLN . 89.2 mt -69.5 -46.13 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HA ' HG22 ' A' ' 30' ' ' VAL . . . -64.62 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.676 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 54.6 ttt180 -58.31 -28.89 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.292 0.568 . . . . 0.0 110.007 176.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.637 ' HA3' ' HZ ' ' A' ' 40' ' ' PHE . . . -93.69 -60.39 1.15 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.556 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 33.9 m -63.54 -29.38 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 117.302 0.551 . . . . 0.0 112.234 -174.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.721 HD21 HG23 ' A' ' 55' ' ' VAL . 91.9 mt -102.82 -61.38 1.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.237 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.676 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.5 t -63.66 -43.48 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.031 0.443 . . . . 0.0 111.3 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 23.2 t70 -86.53 -18.41 31.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.514 0.673 . . . . 0.0 109.777 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 68.72 29.8 72.73 Favored Glycine 0 CA--C 1.504 -0.606 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.013 -174.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 30' ' ' VAL . 21.6 ttmm -82.4 136.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.697 -0.751 . . . . 0.0 111.175 -170.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 64.6 Cg_exo -52.91 131.0 40.3 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.212 2.608 . . . . 0.0 112.637 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.502 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -56.56 -33.66 66.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.865 -174.544 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.43 -26.72 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.722 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.2 m -62.93 -47.47 83.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.637 ' HZ ' ' HA3' ' A' ' 29' ' ' GLY . 80.3 m-85 -70.68 -35.28 72.72 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.547 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.42 83.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.553 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.5 m -75.18 -50.89 14.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -73.77 -43.74 58.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -171.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 40' ' ' PHE . 7.2 mp -91.04 -4.23 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -177.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.5 29.23 68.25 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.792 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.48 157.64 19.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.931 0.396 . . . . 0.0 110.419 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 p -81.04 155.73 26.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.757 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -66.61 -27.07 67.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.797 -174.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.54 -30.3 53.65 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.545 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.87 -42.86 48.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.16 -39.22 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.274 0.559 . . . . 0.0 110.275 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 p -77.86 -19.76 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.411 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.42 -45.95 81.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.074 0.464 . . . . 0.0 110.178 176.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.608 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -62.49 -42.71 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.05 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.721 HG23 HD21 ' A' ' 31' ' ' LEU . 6.8 p -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.795 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -66.68 -45.81 77.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG2' HG21 ' A' ' 23' ' ' THR . 22.8 tpt180 -56.86 -53.07 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.961 -175.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.5 t -78.41 -43.12 26.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 68.0 t-105 -65.02 -41.69 95.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.241 -175.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.24 89.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.66 90.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.715 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.99 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.825 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.91 -39.37 89.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.399 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.91 -22.25 63.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.651 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.637 ' HE2' ' HB3' ' A' ' 12' ' ' GLU . 26.3 mtpp . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.034 0.445 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.9 119.51 39.65 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' B' ' 78' ' ' LEU . 35.9 m -85.15 144.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.245 0.545 . . . . 0.0 110.936 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -135.25 118.71 16.84 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.183 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' B' ' 73' ' ' ARG . . . -139.95 172.93 12.06 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.611 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 70.4 t -77.1 108.25 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.773 HD23 ' HB2' ' B' ' 93' ' ' ALA . 54.6 mt -151.44 88.63 4.3 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.579 -175.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.75 176.63 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.275 1.984 . . . . 0.0 112.548 -177.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.35 45.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.715 -165.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -64.31 -43.58 94.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.038 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.425 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.1 mm100 -71.57 -40.96 69.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.194 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -59.75 -24.09 63.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.518 -175.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -52.76 -50.02 64.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -79.99 -32.57 14.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.009 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 91.4 t -58.71 -45.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.934 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -62.41 -33.95 75.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.246 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -76.54 -29.48 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -78.92 -17.88 54.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.378 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.841 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 36.0 tt0 -55.89 -43.85 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 111.157 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.36 55.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.47 -39.92 77.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.73 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.88 -40.86 92.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.917 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.9 -34.5 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.201 0.524 . . . . 0.0 110.284 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 95' ' ' LYS . 1.3 tmmt? . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.639 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.576 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 10.7 mtt180 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.069 0.461 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 26.2 tp -125.01 153.8 42.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.514 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.03 151.75 20.0 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.01 -0.431 . . . . 0.0 110.153 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 11' ' ' GLN . 45.1 mt-10 -66.83 -21.46 66.03 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -68.32 -46.99 68.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.373 0.606 . . . . 0.0 109.996 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -78.04 -22.87 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.588 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.36 -38.85 91.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.132 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 82.3 mm-40 -66.58 -34.97 79.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.615 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 51.1 mt-10 -69.58 -41.37 75.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.587 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.17 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.515 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 pt -78.05 -44.37 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' B' ' 12' ' ' GLU . 19.4 tm0? 44.2 -83.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.738 1.215 . . . . 0.0 113.231 174.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.21 32.75 1.14 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.4 154.62 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.97 82.51 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.29 141.81 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.049 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.78 156.83 40.94 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.022 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.3 -29.19 67.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.381 -0.409 . . . . 0.0 111.657 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.416 ' O ' HG13 ' B' ' 26' ' ' ILE . 90.4 mt-30 -62.2 -40.0 94.61 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.344 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.499 HG23 ' HA ' ' B' ' 54' ' ' ALA . 26.2 m -64.82 -40.99 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.442 0.639 . . . . 0.0 110.095 175.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.01 -41.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.246 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -63.98 -36.6 84.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' B' ' 51' ' ' VAL . 85.8 mt -69.15 -44.95 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.543 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.66 -28.58 70.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.293 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.724 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 60.0 ttt180 -60.04 -27.3 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.6 ' HA3' ' CZ ' ' B' ' 40' ' ' PHE . . . -99.37 -55.78 1.02 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.197 -1.002 . . . . 0.0 112.391 177.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.551 HG21 ' HB ' ' B' ' 55' ' ' VAL . 33.9 m -65.72 -28.08 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.543 HD12 ' HB1' ' B' ' 27' ' ' ALA . 72.4 mt -101.88 -57.76 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.32 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.724 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 82.8 t -58.54 -42.64 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.188 0.518 . . . . 0.0 111.429 -177.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 23.4 t70 -98.39 -13.92 20.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.112 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.576 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 69.36 31.92 71.66 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 19.1 ttmm -81.94 138.16 46.5 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.061 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 31.8 Cg_exo -59.76 140.73 94.77 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.898 2.399 . . . . 0.0 111.744 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.574 ' HB3' HG11 ' B' ' 51' ' ' VAL . 0.2 OUTLIER -62.76 -22.31 66.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.35 -172.02 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -35.78 66.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.914 -175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -62.33 -52.22 64.52 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.918 0.389 . . . . 0.0 111.399 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' HA3' ' B' ' 29' ' ' GLY . 87.9 m-85 -73.09 -43.14 62.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.741 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -64.48 -56.65 12.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.581 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.7 m -71.36 -34.0 70.07 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.7 t -81.6 -49.92 9.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.63 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.36 -2.31 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 28.79 45.39 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.642 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 82.0 mt -98.71 154.91 17.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.045 0.45 . . . . 0.0 109.788 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -95.07 156.56 16.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -51.01 -48.24 61.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.169 0.293 . . . . 0.0 111.272 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.16 -28.22 73.29 Favored Glycine 0 N--CA 1.452 -0.259 0 O-C-N 123.583 0.552 . . . . 0.0 113.133 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.58 -39.19 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.154 0.502 . . . . 0.0 110.138 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.8 t -72.01 -41.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.04 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.549 ' HA ' HG12 ' B' ' 55' ' ' VAL . 33.8 p -69.27 -28.26 66.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.13 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.32 -42.73 99.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.101 0.476 . . . . 0.0 110.221 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.499 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -67.43 -45.13 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.463 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.551 ' HB ' HG21 ' B' ' 30' ' ' VAL . 7.4 p -64.55 -40.95 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.37 -51.0 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -63.02 -46.85 85.66 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 -44.05 81.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.031 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.499 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 69.3 t-105 -64.77 -40.54 95.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.005 0.431 . . . . 0.0 110.527 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.67 96.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.571 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.21 76.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.22 -55.7 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -71.5 -28.83 64.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 111.248 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 179.228 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -113.37 106.14 14.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 176.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.704 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.3 m -88.67 148.14 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.026 0.441 . . . . 0.0 110.806 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.1 m -111.73 131.31 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.936 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.25 158.7 43.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.877 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.841 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 59.2 t -78.96 113.74 18.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.73 HD23 ' HB2' ' A' ' 93' ' ' ALA . 63.7 mt -151.03 143.91 16.67 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.758 0.661 . . . . 0.0 109.487 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.0 Cg_exo -63.87 147.86 92.02 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.235 2.623 . . . . 0.0 112.624 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.04 69.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.419 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.76 -39.27 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.418 . . . . 0.0 110.181 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.51 -26.87 61.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.47 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.64 63.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.119 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -53.14 -49.06 67.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.41 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.7 mt -76.23 -29.66 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.931 -176.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -36.05 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.447 176.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -66.38 -31.12 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.983 0.421 . . . . 0.0 110.55 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -75.89 -31.69 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.313 0.578 . . . . 0.0 109.858 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.513 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 15.5 m95 -73.39 -18.73 61.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.009 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.611 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 1.1 tm-20 -57.43 -49.3 76.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.342 0.592 . . . . 0.0 109.942 177.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -24.49 44.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.352 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 15.3 t70 -71.36 -39.57 71.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.9 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.773 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.333 -0.149 0 CA-C-O 121.014 0.435 . . . . 0.0 110.604 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.596 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.343 0.592 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 6.6 tp -91.02 174.76 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.809 -168.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -102.29 167.99 9.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 -38.02 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.152 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -59.95 -47.24 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.921 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.52 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 96.4 mt-30 -76.84 -25.31 53.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 0.0 110.701 -178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.64 -42.45 98.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.645 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -62.97 -30.44 71.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.057 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.85 -36.84 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.49 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -74.7 -49.78 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.771 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.6 pt -77.42 -12.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -174.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -47.53 -55.17 9.73 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.6 8.56 68.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.012 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.1 mm? -111.51 133.25 53.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.909 0.385 . . . . 0.0 111.635 -175.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -87.36 84.54 7.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.438 0.637 . . . . 0.0 109.775 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 m -116.9 138.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.008 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.5 145.7 49.68 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.96 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.9 -25.74 44.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.28 0.232 . . . . 0.0 111.212 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' ILE . 33.9 tt0 -59.06 -51.68 69.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -69.39 -31.44 69.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.52 -45.71 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.4 -32.0 70.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 22' ' ' GLN . 74.1 mt -70.03 -50.12 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.276 0.56 . . . . 0.0 109.601 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -63.88 -27.32 69.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.421 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.678 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 71.8 ttt180 -64.01 -28.17 69.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 0.0 110.821 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -105.88 -38.06 2.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.963 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.65 -37.35 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-O 121.172 0.51 . . . . 0.0 111.309 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 10.3 tt -103.45 -33.78 8.95 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.443 -173.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.678 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 88.7 t -89.21 -56.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.605 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.6 t70 -70.98 -35.9 72.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 0.0 109.338 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.596 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 99.63 22.19 12.99 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.676 173.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 58.8 mttp -74.54 139.06 74.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 32.5 Cg_exo -58.5 127.02 23.09 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.19 2.594 . . . . 0.0 112.8 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 25.4 mp0 -50.15 -54.3 21.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.66 -168.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.46 70.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.789 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -66.22 -43.96 85.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 110.268 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.11 -44.39 88.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.865 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.575 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -57.43 -56.03 27.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.5 m -64.43 -28.97 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.662 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.6 m -74.0 -46.78 41.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.79 -7.05 53.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.1 22.9 43.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.115 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.09 156.6 16.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -79.86 155.32 27.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -66.62 -27.45 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.93 -45.13 86.28 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.022 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.06 83.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 41' ' ' ALA . 71.0 t -64.9 -45.06 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.424 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' HG12 ' A' ' 55' ' ' VAL . 62.7 p -69.62 -32.65 71.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.652 0.263 . . . . 0.0 110.678 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -61.15 -45.21 95.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.147 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.703 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.522 HG12 ' HA ' ' A' ' 52' ' ' SER . 14.3 p -69.12 -37.76 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.612 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -65.83 -50.21 65.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 111.054 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 26.7 tpt180 -61.46 -55.25 33.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.233 -175.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' HB ' HD13 ' A' ' 31' ' ' LEU . 97.7 t -62.93 -47.0 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -176.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -61.51 -48.17 82.25 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.866 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.28 72.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.044 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.35 87.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 110.773 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.424 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 60.1 t80 -67.13 -45.25 77.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.721 177.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.3 -39.81 91.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.795 -178.619 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -119.92 129.77 54.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.028 0.442 . . . . 0.0 110.041 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' B' ' 78' ' ' LEU . 15.9 m -88.02 128.27 40.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.167 0.508 . . . . 0.0 110.556 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -120.97 113.89 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.753 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.92 163.64 33.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.462 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.77 109.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.821 HD23 ' HB2' ' B' ' 93' ' ' ALA . 56.2 mt -147.31 126.69 6.47 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 52.3 Cg_exo -55.73 146.38 66.35 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.836 2.358 . . . . 0.0 112.51 -176.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -53.65 -31.06 45.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.267 -174.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -64.95 -29.81 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.755 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -72.58 -27.48 62.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.779 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -61.94 -23.84 66.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.338 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.74 ' HD1' HD13 ' A' ' 85' ' ' ILE . 58.4 t80 -53.02 -39.5 63.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.077 174.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.74 HD13 ' HD1' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -83.76 -35.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.87 -38.51 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.074 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -58.06 -33.65 69.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.298 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.18 -28.15 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.182 0.515 . . . . 0.0 110.266 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -82.52 -22.65 34.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.586 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 33.5 tt0 -61.87 -51.13 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.287 0.565 . . . . 0.0 110.057 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.2 62.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.561 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.74 -44.16 34.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.303 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' B' ' 79' ' ' PRO . . . -68.68 -35.1 76.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.484 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 94' ' ' LYS . 38.2 ttmt -66.5 -32.22 73.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.47 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.964 178.475 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' B' ' 32' ' ' VAL . 5.7 ppt_? . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.33 0.586 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.3 171.83 8.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.855 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -98.79 160.56 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.403 ' HG2' HG11 ' B' ' 32' ' ' VAL . 49.8 mt-10 -64.47 -36.55 84.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.27 . . . . 0.0 111.332 -176.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -61.56 -42.13 98.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 90.9 mt-30 -78.17 -26.71 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.601 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.474 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 13.8 mm100 -59.97 -36.56 77.39 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.81 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 9' ' ' GLN . 65.9 mm-40 -64.05 -40.56 96.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.952 0.406 . . . . 0.0 111.286 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.532 -175.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 41.7 pt -116.15 -14.66 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 11' ' ' GLN . 44.8 tt0 -41.96 -61.57 1.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.767 0.827 . . . . 0.0 112.91 -170.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.53 35.38 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.637 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 17' ' ' LEU . 3.9 mm? -100.98 146.35 27.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.948 0.404 . . . . 0.0 110.911 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -85.86 83.62 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.673 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -135.26 144.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.481 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.64 141.66 40.8 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.567 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HA ' HD12 ' B' ' 24' ' ' ILE . 12.3 pt20 -54.24 -34.8 61.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.526 0.203 . . . . 0.0 111.277 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.518 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.2 mt-30 -62.39 -47.53 83.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.67 68.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.887 0.375 . . . . 0.0 111.082 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 21' ' ' GLN . 82.7 mt -68.45 -49.56 64.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.2 0.524 . . . . 0.0 109.992 174.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 42.8 mt-10 -64.51 -29.53 70.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.786 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 22' ' ' GLN . 85.0 mt -71.72 -48.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 0.0 109.715 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -61.5 -28.2 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.665 -176.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.698 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 53.9 ttt180 -62.92 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.717 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -102.57 -43.72 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.624 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.591 HG21 HG13 ' B' ' 51' ' ' VAL . 5.9 t -70.82 -40.78 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.248 0.547 . . . . 0.0 111.57 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.2 tt -104.09 -30.81 10.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.678 -172.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 99.1 t -96.12 -43.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.486 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 11.9 t70 -78.97 -28.03 43.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.592 0.711 . . . . 0.0 109.229 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.533 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 96.22 25.46 12.55 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.245 -0.888 . . . . 0.0 112.22 176.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 125.37 60.11 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-O 120.632 0.253 . . . . 0.0 110.926 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.98 144.56 44.95 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.081 2.521 . . . . 0.0 112.125 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -58.09 -35.31 71.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.112 -173.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.06 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.298 . . . . 0.0 111.02 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.0 m -68.27 -52.47 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.91 -38.57 91.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.17 -174.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -58.54 -51.17 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -65.61 -37.51 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.097 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -61.7 -50.11 73.76 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.28 -12.8 25.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.41 9.44 61.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.374 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.91 155.98 28.78 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.0 p -80.81 155.15 26.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -65.08 -31.85 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.982 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.88 -35.86 92.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.55 -38.45 62.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 110.411 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.591 HG13 HG21 ' B' ' 30' ' ' VAL . 83.6 t -68.48 -43.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.417 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.8 p -69.77 -28.25 65.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -62.99 -40.26 97.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.96 74.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.473 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.48 -36.78 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.211 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.48 -50.64 68.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 0.0 111.699 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.466 ' HA ' ' HD2' ' B' ' 57' ' ' ARG . 20.4 tpt180 -70.01 -49.84 47.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.463 -172.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.52 -45.45 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.54 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -59.61 -48.66 80.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.397 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.6 85.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.268 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.74 87.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.336 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.649 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 86.1 t80 -64.15 -40.83 96.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.447 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.38 -38.6 87.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.872 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.066 -179.013 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -117.83 134.13 55.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.657 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.1 m -95.23 147.4 5.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.071 0.462 . . . . 0.0 110.723 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.5 m -140.95 118.04 11.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.335 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.95 165.4 29.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.887 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.648 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.0 t -81.47 107.99 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.536 ' HB2' HG22 ' A' ' 74' ' ' VAL . 5.7 mp -146.58 127.54 7.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 51.0 Cg_exo -54.62 145.08 61.08 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.506 2.138 . . . . 0.0 111.668 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.75 -17.88 26.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.733 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -56.23 -39.07 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.985 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.424 ' O ' HG23 ' B' ' 86' ' ' VAL . 32.8 mm-40 -72.44 -31.17 65.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.649 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.42 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.92 -24.01 66.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' TYR . . . . . 0.677 ' HD1' HD13 ' B' ' 85' ' ' ILE . 57.6 t80 -53.45 -39.87 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.335 0.588 . . . . 0.0 110.097 174.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.677 HD13 ' HD1' ' B' ' 84' ' ' TYR . 0.3 OUTLIER -84.43 -38.54 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 82' ' ' GLN . 88.5 t -61.42 -41.71 91.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.148 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -63.97 -21.56 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -81.06 -41.69 22.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -72.29 -18.9 61.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.843 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.61 -38.51 90.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.531 . . . . 0.0 110.73 177.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.32 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.403 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.02 -35.69 36.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.504 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.731 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 73.0 mtt180 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 13.7 tp -90.25 130.62 36.35 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 156.43 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.122 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -51.07 -45.2 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.921 0.391 . . . . 0.0 111.208 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -59.62 -47.34 85.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.144 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.87 -38.24 90.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.553 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.77 -44.15 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -44.54 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.519 178.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.99 -43.57 92.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.85 -49.44 74.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.442 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.16 -33.32 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.972 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 42.47 -88.4 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.47 1.106 . . . . 0.0 113.389 170.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.25 32.32 1.04 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -69.63 139.27 53.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 111.39 -176.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 1.5 pm0 -83.72 83.41 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.649 0.738 . . . . 0.0 110.298 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 57' ' ' ARG . 12.7 m -141.66 142.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.941 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 146.65 50.09 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.691 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -54.42 -24.15 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.691 0.396 . . . . 0.0 111.519 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 26' ' ' ILE . 15.2 mm100 -59.68 -50.82 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 176.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -61.69 -37.83 85.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.474 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.09 -39.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.88 -31.51 71.36 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 82.5 mt -64.43 -50.27 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.92 72.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.331 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 31.1 mtp180 -59.27 -38.87 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.04 0.34 51.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.221 -176.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 37' ' ' GLN . 2.1 t -111.52 -52.18 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 55' ' ' VAL . 3.9 pp -104.44 -27.24 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.826 -177.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 87.6 t -78.67 -42.71 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.374 0.607 . . . . 0.0 109.679 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.473 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 25.4 t0 -83.55 -18.12 39.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.881 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.731 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.62 26.81 72.96 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.986 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -96.9 149.6 35.91 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.673 0.273 . . . . 0.0 111.024 -176.464 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.71 120.8 5.66 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.318 2.679 . . . . 0.0 112.527 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 30' ' ' VAL . 1.7 mp0 -57.46 -35.03 69.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.618 -175.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.334 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -65.42 -40.8 93.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 22.8 t80 -66.66 -40.13 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.426 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.706 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -61.75 -50.0 74.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.647 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -60.69 -33.95 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.904 0.383 . . . . 0.0 111.216 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -73.29 -51.47 17.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.912 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.13 3.04 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 36.78 37.0 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.673 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 61.6 mt -99.37 158.76 15.5 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -100.01 157.01 16.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.64 -52.13 32.88 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.52 -43.34 97.65 Favored Glycine 0 C--O 1.227 -0.313 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.87 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.21 81.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 111.101 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' A' ' 41' ' ' ALA . 95.4 t -68.2 -41.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 110.798 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -66.49 -29.72 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.773 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.53 -41.87 96.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.77 89.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.532 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.8 ' HA ' HD23 ' A' ' 31' ' ' LEU . 9.8 p -68.33 -40.39 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.337 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -66.18 -49.77 66.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 0.0 111.301 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HG2' HG11 ' A' ' 19' ' ' VAL . 6.4 tpt180 -58.18 -49.72 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.656 -174.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HB ' HD21 ' A' ' 31' ' ' LEU . 86.0 t -74.46 -46.58 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.427 -176.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 5' ' ' LEU . 17.4 t-105 -61.44 -41.32 97.02 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.058 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.48 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.239 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.57 -33.2 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 110.775 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.09 -41.88 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.675 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -71.82 -46.87 56.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.48 -7.51 53.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.502 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 177.245 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.6 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 37.4 ptt180 -86.63 110.1 19.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.285 0.564 . . . . 0.0 110.209 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' B' ' 75' ' ' THR . 29.3 m -87.66 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.975 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.3 m -117.37 119.4 34.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 111.205 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.738 ' HA ' ' HG2' ' B' ' 90' ' ' GLU . . . -132.85 149.51 52.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.779 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 90.2 t -77.83 122.0 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.172 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD13 ' HG2' ' A' ' 82' ' ' GLN . 51.5 mt -154.72 137.45 10.17 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 78' ' ' LEU . 50.3 Cg_exo -56.1 152.31 38.22 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.476 2.118 . . . . 0.0 112.182 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.9 -22.73 64.63 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.838 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.71 -41.18 98.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HG2' HD13 ' A' ' 78' ' ' LEU . 7.1 tp60 -72.44 -32.25 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.805 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.41 -24.93 66.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.537 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -52.85 -45.81 67.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -84.5 -29.43 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.571 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG11 ' HB ' ' B' ' 74' ' ' VAL . 92.4 t -62.64 -37.69 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.158 176.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.04 -31.95 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.949 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.75 -43.76 19.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.9 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -60.1 -36.52 77.62 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.42 -44.68 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.0 109.916 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.5 73.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.558 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.47 -35.46 79.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.623 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -64.4 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.363 0.601 . . . . 0.0 110.426 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.1 -27.04 48.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.949 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.391 177.745 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.865 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 94.7 mtt180 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.243 0.545 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.73 137.04 32.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.2 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -75.94 156.79 33.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.91 -30.65 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.075 0.464 . . . . 0.0 110.02 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -65.91 -48.77 70.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.96 -35.58 80.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' B' ' 24' ' ' ILE . 67.1 t80 -62.76 -42.97 99.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.489 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -46.17 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.611 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.46 -42.15 92.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.83 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.771 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.5 pt -83.31 -39.08 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.909 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 33.08 -90.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.775 1.23 . . . . 0.0 113.692 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.89 34.97 2.04 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.13 160.15 20.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.733 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' B' ' 18' ' ' GLU . 1.1 pm0 -81.78 83.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.877 0.846 . . . . 0.0 109.604 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -130.23 132.57 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.66 147.64 43.87 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.879 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.02 -23.88 66.65 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.628 ' HA ' ' HB3' ' B' ' 25' ' ' GLU . 20.0 mt-30 -77.93 -30.41 50.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.917 174.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.645 HG23 ' HA ' ' B' ' 54' ' ' ALA . 21.1 m -62.99 -39.01 93.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 172.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' B' ' 10' ' ' PHE . 75.2 mt -67.86 -45.32 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.349 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.628 ' HB3' ' HA ' ' B' ' 22' ' ' GLN . 3.0 tt0 -55.82 -41.21 73.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.65 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.534 HG21 ' HA ' ' B' ' 51' ' ' VAL . 80.3 mt -72.89 -50.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.675 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.7 71.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.887 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.682 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 16.6 mtp180 -54.14 -29.51 45.51 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 112.032 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -108.04 -35.53 2.53 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.087 -1.054 . . . . 0.0 111.539 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' B' ' 37' ' ' GLN . 4.0 t -70.15 -51.66 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' B' ' 55' ' ' VAL . 3.9 pp -107.53 -23.05 12.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.129 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.682 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.3 t -81.42 -50.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.835 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 28.3 t70 -80.85 -18.41 47.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.449 0.642 . . . . 0.0 109.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.865 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 68.5 41.45 84.64 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.75 -1.114 . . . . 0.0 113.283 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -106.76 152.27 40.78 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.3 124.08 5.98 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.101 2.534 . . . . 0.0 111.924 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.712 ' HG3' HG13 ' B' ' 30' ' ' VAL . 2.0 mp0 -60.07 -31.83 70.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.578 -171.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.556 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -63.3 -42.33 99.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.57 -34.9 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.861 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -56.87 -44.61 82.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.167 173.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.9 m -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.433 ' HB3' HD22 ' B' ' 44' ' ' LEU . 45.1 t -69.33 -56.1 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.177 -173.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.575 ' HB2' ' HG ' ' B' ' 46' ' ' LEU . 2.4 mm? -91.76 5.97 47.77 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.646 -172.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.53 34.83 74.05 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.242 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.861 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 62.5 mt -86.14 155.64 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.26 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -91.25 158.82 16.37 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.61 -43.78 93.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -61.98 -41.61 99.68 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.411 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.95 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.615 0.245 . . . . 0.0 111.111 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.0 t -61.91 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.7 t -67.07 -33.62 75.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 6.5 tp60 -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.341 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.645 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.39 -42.84 92.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.71 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.704 ' HA ' HD23 ' B' ' 31' ' ' LEU . 13.1 p -69.21 -36.29 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.3 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -65.99 -50.91 62.63 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.602 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' B' ' 18' ' ' GLU . 22.3 tpt180 -60.7 -56.97 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.359 -172.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.535 ' HB ' HD21 ' B' ' 31' ' ' LEU . 96.7 t -66.53 -41.08 87.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.6 0.238 . . . . 0.0 111.441 -174.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -65.67 -36.25 83.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.077 0.465 . . . . 0.0 110.282 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.93 77.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.648 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.351 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -61.53 -45.73 92.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.4 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -61.49 -46.19 91.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.285 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.427 -178.494 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 27.4 ptt180 -96.99 114.41 26.02 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.543 0.687 . . . . 0.0 109.187 174.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.545 ' HB ' HG11 ' A' ' 86' ' ' VAL . 31.2 m -86.45 145.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.053 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 73' ' ' ARG . 41.5 m -129.48 132.73 46.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.62 153.94 36.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.017 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.623 ' HB ' ' HB3' ' A' ' 93' ' ' ALA . 46.3 t -79.14 116.04 22.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.886 0.374 . . . . 0.0 110.379 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 77' ' ' VAL . 1.1 mt -151.15 134.28 8.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.75 147.01 90.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.517 2.145 . . . . 0.0 111.287 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLU . . . . . 0.757 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 47.4 mt-10 -62.38 -19.55 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.252 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -67.34 -39.89 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 109.883 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.44 ' HG2' HD22 ' B' ' 78' ' ' LEU . 7.5 tp60 -73.38 -41.74 62.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.426 0.631 . . . . 0.0 109.572 172.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -59.72 -22.72 62.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -51.58 -45.01 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.168 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 mt -83.8 -30.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.39 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.495 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 59.8 t -63.45 -37.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.126 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -60.52 -32.51 71.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.769 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -46.1 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 19.2 m0 -63.88 -28.6 69.95 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.656 178.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.738 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 3.7 tm-20 -55.6 -51.99 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.701 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.89 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 22.0 t70 -64.75 -39.36 93.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.043 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 175.758 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.742 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 5' ' ' LEU . 14.0 mt -135.12 169.06 18.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.545 0.688 . . . . 0.0 112.711 -170.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.62 162.23 13.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.193 171.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -46.7 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.567 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.16 -29.21 66.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.203 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.8 -44.58 85.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.428 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -72.98 -27.43 61.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.481 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.57 -35.01 70.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.579 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.28 84.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.445 ' HB ' HG21 ' A' ' 19' ' ' VAL . 4.9 pt -81.51 -7.48 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -73.38 118.12 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.47 0.48 67.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.123 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -106.73 155.98 19.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 110.671 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.78 84.48 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.471 0.653 . . . . 0.0 109.496 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.445 HG21 ' HB ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -120.78 128.77 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.916 -178.355 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.79 168.24 41.27 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.409 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.15 -36.78 71.14 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.255 0.622 . . . . 0.0 111.832 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.667 0.27 . . . . 0.0 110.998 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -68.51 -43.07 77.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.287 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mt -70.06 -46.73 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.971 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -66.63 -31.95 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.0 -46.34 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.086 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.27 64.81 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.718 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 8.9 ttm-85 -63.93 -29.36 70.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.125 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.78 -38.91 2.44 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.843 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG11 ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -70.14 -41.29 78.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 122.923 0.489 . . . . 0.0 111.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -94.5 -62.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.403 -178.152 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 21.4 t -54.14 -54.07 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.005 0.522 . . . . 0.0 112.253 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -22.72 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 0.0 110.205 -178.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.742 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 78.75 31.03 45.89 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.159 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -78.61 149.2 74.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.453 0.168 . . . . 0.0 110.861 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.78 136.29 44.96 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.803 2.336 . . . . 0.0 112.545 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -32.07 73.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.238 -176.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.43 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.365 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -36.61 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.603 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -39.96 94.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.26 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.194 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -66.93 -42.61 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.811 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.0 m -70.78 -50.32 37.06 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.55 -9.58 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.53 33.82 24.19 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.49 166.75 10.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.104 0.478 . . . . 0.0 110.376 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.49 155.03 22.36 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -68.42 -37.23 80.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.432 0.158 . . . . 0.0 111.092 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.61 -30.26 74.68 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.539 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.03 69.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.622 0.249 . . . . 0.0 111.013 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.32 -40.77 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 55' ' ' VAL . 17.3 m -70.41 -24.66 62.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.472 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.52 -34.04 71.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.708 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -74.48 -41.33 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.748 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.565 HG23 HD13 ' A' ' 31' ' ' LEU . 7.5 p -67.76 -36.57 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -48.02 75.27 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.355 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -56.3 22.42 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.567 0.542 . . . . 0.0 112.349 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.82 -35.23 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.427 ' HZ3' ' HG ' ' A' ' 5' ' ' LEU . 39.9 t-105 -69.41 -36.24 76.52 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.134 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.09 91.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.59 98.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.91 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.44 -51.83 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.221 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.45 -38.26 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.327 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.64 -41.5 83.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.967 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.687 0.28 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.75 112.06 24.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.294 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' B' ' 78' ' ' LEU . 32.6 m -87.73 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.027 0.441 . . . . 0.0 110.589 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.566 HG22 ' HD3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.22 133.32 45.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.728 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -143.73 152.15 40.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.58 111.15 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' HB2' HG22 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -155.36 148.38 18.2 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.636 -176.648 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.681 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 28.4 Cg_exo -61.79 146.26 96.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.883 2.389 . . . . 0.0 112.944 -178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.76 -25.87 65.83 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.785 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -68.79 -31.87 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.805 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -26.25 61.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.422 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.84 60.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.032 0.533 . . . . 0.0 112.13 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -52.35 -47.06 66.31 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 173.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.991 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.47 -30.52 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' A' ' 87' ' ' ARG . 12.2 mmm-85 -64.18 -29.12 70.25 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 111.09 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -38.54 48.25 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.094 0.473 . . . . 0.0 110.159 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 39.9 m0 -72.19 -24.1 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.029 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.605 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 57.0 tt0 -70.53 -38.57 74.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 175.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.81 76.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.397 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.68 -37.34 82.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.091 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.35 68.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.655 0.264 . . . . 0.0 111.011 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -40.26 94.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 0.0 109.989 173.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.553 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.652 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.38 172.67 10.44 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.368 0.604 . . . . 0.0 112.517 -171.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 p -98.97 155.72 17.28 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.007 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.485 ' HG3' HG11 ' B' ' 32' ' ' VAL . 2.7 mp0 -67.2 -24.21 65.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.845 0.355 . . . . 0.0 110.767 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -50.15 58.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.317 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -77.93 -22.94 48.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.91 0.386 . . . . 0.0 110.587 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.46 -38.04 88.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.467 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -65.4 -45.94 81.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -34.86 78.21 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.662 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.36 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.4 pt -81.81 -11.89 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 107.05 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.213 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.29 0.39 61.41 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.478 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' B' ' 19' ' ' VAL . 0.4 OUTLIER -89.91 146.11 24.64 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.175 0.512 . . . . 0.0 111.176 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.11 83.76 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.344 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' B' ' 17' ' ' LEU . 0.0 OUTLIER -135.39 146.36 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.088 -177.413 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.08 156.46 45.59 Favored Glycine 0 N--CA 1.435 -1.414 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.064 172.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -63.42 -23.51 67.43 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.539 0.335 . . . . 0.0 111.419 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -65.07 -48.28 74.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.994 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -35.72 81.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 57.6 mt -69.35 -41.28 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.14 -32.6 74.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.628 HG21 ' HA ' ' B' ' 51' ' ' VAL . 64.7 mt -71.85 -49.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.275 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.82 65.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.162 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.494 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -65.94 -34.13 77.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.888 176.071 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -99.36 -28.59 7.52 Favored Glycine 0 C--O 1.223 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -79.08 -42.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -177.367 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -97.22 -60.93 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.54 -177.527 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 14.5 t -60.52 -50.65 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 35.8 t0 -74.77 -50.28 17.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.652 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 109.2 49.77 0.75 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.621 175.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 0.5 OUTLIER -103.4 137.6 19.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.586 0.232 . . . . 0.0 110.71 -178.635 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 36.1 Cg_exo -62.91 149.44 91.48 Favored 'Trans proline' 0 C--O 1.24 0.579 0 C-N-CA 123.105 2.537 . . . . 0.0 112.607 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -62.36 -41.64 98.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.77 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -39.18 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.936 -177.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -35.16 77.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.803 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.95 -50.56 68.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -43.01 73.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.3 m -76.63 -42.6 41.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -12.14 41.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.02 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.148 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.561 HD13 HG12 ' B' ' 26' ' ' ILE . 2.1 mt -112.85 166.02 11.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 155.06 25.21 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -63.73 -40.4 96.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.164 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -31.08 68.33 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.797 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.46 -45.91 67.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.987 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.628 ' HA ' HG21 ' B' ' 26' ' ' ILE . 48.2 t -62.23 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.905 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -71.63 -25.96 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.822 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.55 -37.59 71.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.514 0.197 . . . . 0.0 110.563 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.12 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.14 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.559 ' HB ' HG11 ' B' ' 30' ' ' VAL . 2.2 p -65.61 -45.11 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -43.12 84.14 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -64.21 -50.02 69.67 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.21 -39.55 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -64.5 -40.01 94.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.591 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.46 80.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.969 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.56 -39.32 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.37 -40.51 93.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.69 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.04 -35.18 76.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.033 0.444 . . . . 0.0 110.708 179.119 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.891 0.377 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.566 ' HD3' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -123.16 115.32 21.58 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.678 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 78' ' ' LEU . 14.2 m -85.54 131.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.314 0.578 . . . . 0.0 111.247 -176.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' THR . . . . . 0.47 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -112.65 126.07 54.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.886 176.801 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.77 155.26 41.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.617 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.605 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 95.5 t -77.56 120.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.417 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -158.85 147.36 14.04 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 123.803 0.689 . . . . 0.0 109.281 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.89 157.05 45.33 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.629 2.219 . . . . 0.0 113.386 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.74 63.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.948 -175.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.216 0.531 . . . . 0.0 110.447 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.33 61.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.164 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.576 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -63.71 -23.75 67.5 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.15 -50.19 73.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.186 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.662 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.728 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.7 t -65.25 -37.01 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.011 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -68.75 -26.93 65.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.199 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -35.72 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.134 0.492 . . . . 0.0 110.089 175.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -72.82 -18.52 61.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.37 -51.86 66.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.297 0.57 . . . . 0.0 110.891 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.02 44.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.9 -40.26 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.472 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.681 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 N--CA 1.439 -1.001 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 28.7 mt -100.93 160.05 14.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.9 p -103.74 170.55 7.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.145 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.15 -41.07 91.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.086 0.403 . . . . 0.0 110.574 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 p -62.7 -45.08 94.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -78.0 -23.92 48.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.996 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -68.64 -34.27 75.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.065 0.459 . . . . 0.0 110.142 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -62.31 -26.38 68.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.485 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -71.6 -43.53 66.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -66.96 -22.13 65.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.408 -174.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG21 HG23 ' A' ' 24' ' ' ILE . 37.4 pt -109.85 -10.43 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -46.9 -68.83 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.23 31.17 8.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.55 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.93 132.85 52.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.675 0.274 . . . . 0.0 110.875 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -84.35 83.23 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.186 0.517 . . . . 0.0 109.653 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.42 HG23 HD11 ' A' ' 24' ' ' ILE . 3.2 m -127.3 133.58 67.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.417 -177.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.26 151.24 50.27 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.66 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 17.3 pt20 -48.77 -43.99 38.34 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 26' ' ' ILE . 24.2 mm-40 -58.39 -40.72 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.082 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 m -62.09 -41.88 98.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.251 0.548 . . . . 0.0 110.153 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.449 HG23 HG21 ' A' ' 14' ' ' ILE . 72.3 mt -69.82 -51.52 39.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.276 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 47.3 mt-10 -62.52 -26.34 68.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.893 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.533 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 75.0 mt -69.54 -50.67 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-O 121.027 0.442 . . . . 0.0 109.828 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . . . -65.98 -25.39 67.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.941 -174.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 48.9 ttt180 -66.79 -29.82 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.89 10.8 27.41 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.542 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.704 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 2.1 t -112.61 -52.29 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.583 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 55' ' ' VAL . 78.7 mt -82.83 -42.46 17.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.347 0.594 . . . . 0.0 110.855 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 21.2 t -74.45 -25.3 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.243 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.484 ' OD2' ' HG3' ' A' ' 36' ' ' PRO . 37.0 t70 -96.67 -14.82 21.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.73 30.82 2.91 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.926 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 39.0 tttm 65.19 55.02 1.18 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 168.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.704 ' HD2' ' HA ' ' A' ' 30' ' ' VAL . 86.5 Cg_endo -97.74 57.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.089 2.526 . . . . 0.0 111.365 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -55.39 -46.78 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.56 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.97 90.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -64.86 -47.51 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.729 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 26' ' ' ILE . 28.7 t80 -65.57 -41.17 93.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.937 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.551 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -58.61 -55.74 31.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.827 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 m -65.98 -26.24 67.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.99 0.424 . . . . 0.0 111.171 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 t -66.97 -47.62 71.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -92.61 -11.64 33.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.368 . . . . 0.0 111.507 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.19 64.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.789 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 26' ' ' ILE . 95.9 mt -82.39 157.15 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.81 155.98 23.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.119 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.59 -45.56 70.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.86 94.4 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.243 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.13 93.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.138 0.469 . . . . 0.0 110.651 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 41' ' ' ALA . 69.4 t -63.25 -35.18 71.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.489 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.735 ' HA ' HG12 ' A' ' 55' ' ' VAL . 33.2 m -72.79 -30.01 63.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.41 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.74 -45.92 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.06 79.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 52' ' ' SER . 7.5 p -64.42 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.742 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -66.15 -46.68 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.26 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -61.31 -53.9 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.073 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.74 -43.11 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.197 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -63.58 -43.77 96.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.627 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -62.59 -37.51 86.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.61 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 90.5 t80 -71.47 -49.51 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.47 -32.01 73.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.204 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -78.4 -26.15 46.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 55.7 tttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.196 -174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.801 0.334 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.478 HH11 ' HB ' ' B' ' 77' ' ' VAL . 22.8 mmm180 -92.48 107.32 19.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.65 142.7 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.564 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 m -125.64 120.93 32.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.749 -175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.33 151.57 40.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.751 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 7.3 p -84.3 134.47 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.502 HD12 ' HD2' ' A' ' 79' ' ' PRO . 21.9 tp -173.31 131.83 0.59 Allowed Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HD2' HD12 ' A' ' 78' ' ' LEU . 73.9 Cg_exo -51.36 145.81 26.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.584 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.71 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.924 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -55.77 -42.7 75.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.254 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.4 mp0 -71.75 -28.42 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.198 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.518 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.29 -24.26 64.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -52.55 -47.64 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.972 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 mt -84.42 -30.37 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.267 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -59.79 -38.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.143 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.8 -32.24 70.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.345 . . . . 0.0 110.772 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -77.11 -36.17 55.81 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -70.05 -34.98 73.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.44 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' B' ' 77' ' ' VAL . 13.8 tm-20 -62.68 -36.13 81.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 177.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -39.2 77.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.29 -49.29 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.782 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.788 ' HB3' HG13 ' B' ' 77' ' ' VAL . . . -67.56 -29.14 68.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 0.0 110.628 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.06 -34.81 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.393 -174.739 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' B' ' 4' ' ' ARG . 9.5 ttm180 . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.671 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 30.6 mt -119.92 158.72 26.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.909 0.385 . . . . 0.0 110.632 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.7 p -102.88 170.72 7.81 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.07 -31.56 72.0 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.594 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -62.06 -49.32 76.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.836 0.35 . . . . 0.0 110.752 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.67 -32.67 68.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.24 -47.69 81.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.169 0.509 . . . . 0.0 109.958 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -58.89 -37.29 76.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.781 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.07 -39.43 86.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.85 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.489 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -75.42 -36.07 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.144 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.7 pt -93.01 -10.25 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -36.18 -57.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 113.625 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.47 37.48 3.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.675 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 13' ' ' ALA . 3.2 mm? -116.51 139.19 50.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 111.605 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -85.09 83.63 7.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.707 HG23 HD11 ' B' ' 24' ' ' ILE . 4.7 m -120.58 140.96 43.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.584 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 159.97 39.5 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 114.252 -1.34 . . . . 0.0 111.842 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.69 -33.26 64.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.213 -0.493 . . . . 0.0 112.186 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.81 -48.12 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -32.88 65.34 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.707 HD11 HG23 ' B' ' 19' ' ' VAL . 74.0 mt -68.54 -51.21 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.463 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.36 -29.79 71.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.982 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.451 ' HA ' ' CE1' ' B' ' 40' ' ' PHE . 83.1 mt -71.52 -48.82 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 109.785 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.12 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.582 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.602 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 57.0 ttt85 -64.03 -41.85 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.471 176.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' B' ' 33' ' ' ASP . . . -98.44 5.53 60.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.702 -178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.713 HG11 ' HB ' ' B' ' 55' ' ' VAL . 1.5 t -113.12 -52.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 120.54 0.209 . . . . 0.0 111.172 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.463 HD21 HG23 ' B' ' 55' ' ' VAL . 72.5 mt -84.64 -50.52 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.118 0.485 . . . . 0.0 110.778 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.2 t -69.37 -26.87 32.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.966 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' HA2' ' B' ' 29' ' ' GLY . 10.2 t70 -89.16 -15.95 32.55 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.34 -172.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.425 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . 111.25 25.78 4.87 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.801 -1.19 . . . . 0.0 113.609 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.574 ' N ' ' HD3' ' B' ' 36' ' ' PRO . 53.7 tttm 67.08 56.19 0.82 Allowed Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 123.783 0.833 . . . . 0.0 112.938 172.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.585 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 61.3 Cg_endo -99.62 53.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.806 . . . . 0.0 111.153 172.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.401 ' NE2' HG11 ' B' ' 55' ' ' VAL . 52.4 mt-30 -55.18 -43.79 74.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.235 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.276 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -69.56 -43.49 72.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.952 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 21.6 t80 -65.77 -41.71 91.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.352 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.417 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -56.34 -55.45 33.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.122 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -68.69 -35.37 77.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.796 0.331 . . . . 0.0 111.287 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -62.03 -47.52 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.939 -175.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.94 -6.69 38.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.74 33.32 34.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.99 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -98.35 153.28 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.847 0.356 . . . . 0.0 110.243 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -73.88 154.43 39.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.454 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.68 -44.74 96.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.11 91.63 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.681 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.91 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.691 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' B' ' 41' ' ' ALA . 82.2 t -60.71 -41.98 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.453 ' HA ' HG12 ' B' ' 55' ' ' VAL . 16.1 m -72.07 -25.18 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.04 -45.95 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.96 94.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.622 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.713 ' HB ' HG11 ' B' ' 30' ' ' VAL . 6.9 p -63.85 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.989 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -65.35 -42.37 92.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -61.87 -54.07 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.02 -40.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -63.6 -43.01 98.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.919 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.56 84.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.892 0.377 . . . . 0.0 110.414 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.91 82.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -71.14 -50.62 31.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.503 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.08 -40.74 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.601 -175.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.107 0.48 . . . . 0.0 110.915 -176.449 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 89.5 mtt-85 -92.69 112.39 24.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 m -85.35 127.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -121.02 119.23 31.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.98 169.31 24.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.926 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.788 HG13 ' HB3' ' A' ' 93' ' ' ALA . 14.5 p -88.78 137.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -165.64 132.81 2.23 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -172.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 93' ' ' ALA . 54.1 Cg_exo -52.96 137.9 61.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.181 2.587 . . . . 0.0 112.794 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.2 OUTLIER -62.42 -29.66 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.307 -169.209 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -63.66 -49.49 72.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.683 0.277 . . . . 0.0 110.918 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.401 ' O ' HG23 ' B' ' 86' ' ' VAL . 1.2 mp0 -72.05 -29.51 64.23 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -66.1 -24.68 66.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.419 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -53.07 -50.6 64.05 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.396 0.617 . . . . 0.0 109.692 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.433 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.1 mt -70.74 -32.35 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.931 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 82' ' ' GLN . 98.9 t -65.12 -42.3 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.733 176.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -70.21 -23.29 62.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -77.08 -37.94 53.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.58 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 26.3 m0 -68.2 -20.12 64.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.634 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.751 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 8.1 tm-20 -61.86 -43.11 99.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -28.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.409 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 13.5 t70 -67.84 -48.38 66.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.603 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.017 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 1.7 mpp_? . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.0 tp -103.1 147.64 26.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -173.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -94.1 156.01 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 119.613 -0.232 . . . . 0.0 111.055 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -50.93 -45.28 60.48 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.3 t -60.28 -53.51 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.592 0.234 . . . . 0.0 110.851 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -61.34 -39.5 90.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.225 0.536 . . . . 0.0 109.954 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.3 t80 -59.32 -48.26 82.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.046 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -68.87 -41.83 77.83 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.68 -38.56 87.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.141 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.54 74.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 10' ' ' PHE . 31.1 pt -72.34 -29.14 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.857 0.361 . . . . 0.0 111.757 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.58 102.14 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.297 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.48 -20.11 5.56 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.486 -176.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.97 132.48 46.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.62 84.4 5.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 0.0 109.776 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.5 m -120.9 143.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.736 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.93 145.07 47.57 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.122 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 64.0 tt0 -54.27 -39.95 67.35 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.505 0.322 . . . . 0.0 111.187 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.614 ' O ' HG13 ' A' ' 26' ' ' ILE . 69.0 mt-30 -60.37 -42.5 95.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.313 -0.155 . . . . 0.0 110.898 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -59.4 -41.41 89.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.479 0.657 . . . . 0.0 109.929 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.57 -47.71 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.765 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 18.2 mm-40 -60.44 -31.26 70.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.622 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.662 HG21 ' HA ' ' A' ' 51' ' ' VAL . 81.4 mt -67.81 -50.89 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -65.64 -26.79 67.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.84 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 51.6 ttt85 -58.73 -28.6 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.742 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' A' ' 33' ' ' ASP . . . -107.02 -42.73 1.49 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.675 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 23.1 t -69.83 -28.23 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 C-N-CA 123.005 0.522 . . . . 0.0 111.76 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.686 HD21 HG23 ' A' ' 55' ' ' VAL . 37.9 mt -110.72 -33.58 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 12.0 t -97.58 -29.5 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 36.4 t70 -92.95 -8.73 42.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.108 0.48 . . . . 0.0 111.347 -171.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 112.64 17.54 7.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.881 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 48.1 tttm 68.0 70.25 0.44 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 166.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.75 -15.27 13.57 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.137 2.558 . . . . 0.0 112.079 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 60.32 -113.02 0.57 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.07 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -28.46 67.49 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -169.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.22 -34.73 72.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.419 . . . . 0.0 110.719 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 34.3 t80 -68.8 -40.96 79.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.861 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.811 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -60.96 -53.53 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -59.43 -35.26 73.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.218 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -67.92 -52.07 40.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.395 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.81 -9.83 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.73 64.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.837 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.401 HD13 HD11 ' A' ' 26' ' ' ILE . 71.4 mt -78.34 157.65 29.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.6 p -84.7 154.87 22.2 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.689 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.249 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -45.0 94.53 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.781 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.9 81.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.532 0.206 . . . . 0.0 110.81 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.811 HG21 ' HB2' ' A' ' 41' ' ' ALA . 55.8 t -57.51 -44.13 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.627 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 m -71.84 -26.87 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.162 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -71.26 -41.38 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.125 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.86 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.957 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.686 HG23 HD21 ' A' ' 31' ' ' LEU . 5.4 p -61.63 -42.42 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -66.25 -47.62 73.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.616 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -60.41 -56.46 21.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.099 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.62 -43.45 93.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.668 -175.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -63.69 -43.72 95.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.426 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.28 68.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.196 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -63.03 -50.17 71.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -69.76 -40.08 76.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.805 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -59.49 -40.14 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.805 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.33 -35.01 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 45.5 tttp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.145 -173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.475 ' HG2' HG22 ' B' ' 77' ' ' VAL . 31.7 mtm180 -108.27 105.79 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG11 ' HB1' ' B' ' 83' ' ' ALA . 31.5 m -96.14 126.66 48.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.552 0.691 . . . . 0.0 112.004 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -103.21 114.71 29.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.254 173.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HA ' ' OE2' ' B' ' 90' ' ' GLU . . . -124.5 159.88 29.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.746 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.736 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 45.0 t -78.21 112.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.561 ' HB2' HG22 ' B' ' 74' ' ' VAL . 75.2 mt -155.63 127.6 3.89 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.76 140.62 46.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.818 2.345 . . . . 0.0 112.204 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.69 -29.88 29.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.23 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -59.29 -32.64 70.22 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.2 mp0 -72.94 -27.16 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.691 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -58.49 -23.87 59.02 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.384 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.11 -48.27 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.297 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.72 -31.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.616 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 76.3 t -56.8 -47.35 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.151 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 90' ' ' GLU . 29.6 ttp180 -67.19 -21.09 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.202 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.98 -39.09 72.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.172 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 86' ' ' VAL . 10.3 m0 -75.11 -36.06 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.765 175.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.573 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 32.6 tt0 -58.23 -47.53 83.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.115 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.83 71.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.655 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -70.27 -40.69 74.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.27 -36.79 74.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.498 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -71.89 -30.47 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.844 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 34.1 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.857 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.444 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.312 0.577 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.786 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 19.0 tp -125.44 158.64 33.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.432 -172.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.4 p -96.61 157.61 15.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.602 ' HG3' HG11 ' B' ' 32' ' ' VAL . 44.5 mt-10 -67.02 -21.09 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -67.53 -44.97 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.154 0.502 . . . . 0.0 110.057 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.5 ' HB3' ' CE1' ' B' ' 62' ' ' PHE . 17.1 mm-40 -77.76 -31.85 52.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.977 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 51.7 t80 -56.6 -45.65 81.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.268 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.78 -44.29 86.12 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.592 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.68 -41.85 98.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -61.01 -41.69 97.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.476 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 34.5 pt -84.51 -28.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.73 106.92 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.363 0.601 . . . . 0.0 111.0 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.35 -17.06 7.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.58 159.04 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.043 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.0 86.66 2.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.547 HG23 HD11 ' B' ' 24' ' ' ILE . 8.8 m -120.2 131.98 71.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.441 0.639 . . . . 0.0 111.227 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.69 139.95 37.79 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.516 177.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.546 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 63.7 tt0 -62.89 -23.22 67.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 -178.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.86 -50.78 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.387 . . . . 0.0 110.134 175.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.41 69.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.547 HD11 HG23 ' B' ' 19' ' ' VAL . 68.7 mt -61.28 -44.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.431 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.58 -28.14 69.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.708 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.589 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 68.2 mt -68.48 -50.94 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.416 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -67.27 -28.0 67.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.529 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -62.31 -37.48 85.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.41 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -106.84 -0.62 36.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.415 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' B' ' 26' ' ' ILE . 2.3 t -112.31 -52.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.809 -0.23 . . . . 0.0 110.873 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.423 ' CD2' HG23 ' B' ' 55' ' ' VAL . 18.6 mt -78.95 -34.33 44.48 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 122.123 -0.36 . . . . 0.0 111.574 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.602 HG11 ' HG3' ' B' ' 7' ' ' GLU . 21.8 t -95.79 -14.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.913 0.387 . . . . 0.0 112.02 -174.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.0 t70 -108.91 10.47 26.4 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.198 0.523 . . . . 0.0 112.319 -170.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 110.14 -3.97 30.04 Favored Glycine 0 C--N 1.323 -0.159 0 C-N-CA 119.648 -1.263 . . . . 0.0 113.845 173.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' B' ' 30' ' ' VAL . 62.0 tttm 69.73 63.37 0.53 Allowed Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 123.02 0.528 . . . . 0.0 111.95 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 81.2 Cg_endo -83.39 -36.16 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.233 1.955 . . . . 0.0 112.255 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 68.2 -72.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.785 0.834 . . . . 0.0 112.863 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.67 89.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 9.3 p -64.38 -40.77 96.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.316 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 27.5 t80 -67.1 -41.74 85.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -59.0 -45.52 90.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.804 177.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -70.45 -31.65 68.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -67.81 -52.89 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.451 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.25 -1.61 55.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.22 45.15 32.19 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.548 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 87.4 mt -99.48 159.39 15.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.164 0.507 . . . . 0.0 110.718 -176.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 3.2 m -77.58 155.05 31.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.873 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.33 -40.74 87.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.87 78.31 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.288 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.85 91.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 111.238 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' B' ' 41' ' ' ALA . 75.8 t -63.65 -47.03 93.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.642 ' HA ' HG12 ' B' ' 55' ' ' VAL . 59.3 m -66.18 -28.48 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.608 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 35.5 tt0 -65.13 -43.38 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.867 0.365 . . . . 0.0 110.301 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -40.61 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.676 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' B' ' 52' ' ' SER . 7.1 p -66.71 -39.87 84.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -66.15 -44.56 83.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.749 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.1 OUTLIER -64.52 -57.3 9.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.961 -174.664 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.57 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.404 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.786 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 48.0 t-105 -67.13 -42.97 83.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.547 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.32 75.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.64 81.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.506 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.521 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 70.2 t80 -65.42 -38.92 91.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.979 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.66 -39.64 77.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 110.146 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.395 0.617 . . . . 0.0 110.297 177.598 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 77' ' ' VAL . 77.8 mtm180 -103.91 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.3 m -87.99 143.06 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.138 0.494 . . . . 0.0 111.211 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.0 m -103.96 128.35 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.854 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' OE2' ' A' ' 90' ' ' GLU . . . -136.8 139.92 42.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.573 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.2 t -77.95 121.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.547 HD12 ' HD2' ' B' ' 79' ' ' PRO . 45.6 tp -169.61 126.7 0.79 Allowed Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' B' ' 78' ' ' LEU . 53.1 Cg_exo -56.56 146.54 74.9 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.928 2.419 . . . . 0.0 112.225 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' GLU . . . . . 0.785 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -60.23 -19.9 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.876 -172.774 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -56.07 -58.64 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -73.54 -30.79 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.785 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -63.02 -23.51 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.413 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -52.46 -46.9 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.428 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.45 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.9 mt -75.65 -33.15 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 -177.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.5 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 60.6 t -63.28 -32.31 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 87' ' ' ARG . 19.2 ttt180 -62.81 -36.33 82.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.187 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.14 -42.9 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.216 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 22.3 m0 -64.83 -31.49 72.74 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.736 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 34.1 tt0 -61.63 -50.51 72.27 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 110.255 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.12 73.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.97 -44.82 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.065 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 179.419 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.727 ' HE ' ' HA3' ' A' ' 34' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.889 0.376 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 4.2 tp -125.92 150.57 47.86 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.444 -175.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 165.58 14.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.64 -27.54 68.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.794 0.331 . . . . 0.0 111.553 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -51.99 66.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.726 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 12.1 mt-30 -78.19 -22.83 48.03 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 14' ' ' ILE . 6.5 t80 -63.95 -44.13 93.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -67.91 -31.34 71.05 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.04 -37.11 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.19 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.757 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 10' ' ' PHE . 30.3 pt -75.63 -41.36 41.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.912 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 44.46 -106.2 0.1 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.937 0.895 . . . . 0.0 112.711 175.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -126.83 30.64 4.13 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -67.16 152.07 46.41 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.801 0.441 . . . . 0.0 110.726 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 84.39 7.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.856 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.434 HG11 ' HG2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -137.99 141.4 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.56 146.11 43.26 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.779 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.599 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -65.72 -21.02 66.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.81 -44.51 89.66 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.761 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -35.69 77.76 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 177.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 21' ' ' GLN . 67.2 mt -64.87 -39.78 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.979 0.418 . . . . 0.0 110.467 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.21 -26.08 64.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.565 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 23' ' ' THR . 53.0 mt -68.04 -50.32 59.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.7 66.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.595 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.8 ttm180 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.626 175.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.15 -16.2 33.44 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.576 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 1.1 t -96.89 -46.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.763 0.316 . . . . 0.0 110.71 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.582 HD13 HG23 ' A' ' 55' ' ' VAL . 10.2 tp -95.98 -46.46 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.551 -175.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.595 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.1 t -69.32 -45.58 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.67 -33.65 46.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.727 ' HA3' ' HE ' ' A' ' 4' ' ' ARG . . . 87.02 51.13 3.46 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.101 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 14.8 mttp -109.96 148.94 39.29 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.195 . . . . 0.0 110.998 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 27.9 Cg_exo -62.32 140.04 80.58 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 111.905 176.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.63 -32.41 67.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.025 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.45 98.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.601 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.474 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -33.39 75.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.223 -175.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -62.76 -55.7 24.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -71.06 -26.44 63.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -71.94 -36.6 69.96 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -95.4 -7.05 39.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.691 0.281 . . . . 0.0 111.461 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.67 70.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.884 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.5 169.96 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 p -83.5 155.44 23.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -65.64 -27.61 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.624 0.249 . . . . 0.0 110.494 176.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 -42.02 72.35 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.861 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.22 74.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.553 ' HA ' HG21 ' A' ' 26' ' ' ILE . 55.7 t -69.72 -42.03 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -72.11 -22.41 61.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -70.38 -34.31 72.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.744 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.47 -44.16 65.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.677 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.582 HG23 HD13 ' A' ' 31' ' ' LEU . 2.9 p -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -49.65 68.19 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.996 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG2' HG11 ' A' ' 19' ' ' VAL . 7.7 tpt85 -64.42 -49.24 72.3 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.56 -44.41 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.251 0.344 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.503 ' CE3' HD11 ' A' ' 31' ' ' LEU . 27.7 t-105 -61.06 -47.3 86.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.441 177.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.47 71.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.27 77.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.511 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -66.45 -40.33 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.608 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.69 -34.34 71.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.57 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.42 -40.56 85.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.992 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.956 0.408 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -127.62 125.24 39.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' B' ' 83' ' ' ALA . 10.3 m -86.15 133.26 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.21 0.529 . . . . 0.0 111.107 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.78 112.9 13.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.317 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.21 159.34 42.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.983 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -82.12 109.04 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' B' ' 93' ' ' ALA . 0.2 OUTLIER -160.34 144.9 10.75 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -177.772 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.497 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 30.8 Cg_endo -64.01 155.45 64.46 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.431 2.087 . . . . 0.0 112.956 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -19.82 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.652 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.2 86.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.176 0.513 . . . . 0.0 110.227 174.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -26.75 61.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.312 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -59.42 -23.08 62.35 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.829 0.451 . . . . 0.0 112.213 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -52.68 -47.08 67.43 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.478 0.486 . . . . 0.0 110.489 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.91 -27.75 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.072 -178.393 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.02 -36.97 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.692 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -30.59 67.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 110.732 176.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -35.97 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 175.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -75.26 -22.12 58.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.941 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.911 ' HB2' ' HB1' ' B' ' 76' ' ' ALA . 0.4 OUTLIER -65.89 -43.86 87.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.167 0.508 . . . . 0.0 109.821 176.298 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.03 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.828 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.0 -31.52 44.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' B' ' 79' ' ' PRO . . . -70.52 -39.75 73.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 175.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -24.91 64.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.926 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.548 -179.133 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.717 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 9' ' ' GLN . 3.6 tp -121.08 156.96 31.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.59 164.08 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HG3' HG11 ' B' ' 32' ' ' VAL . 4.0 mp0 -66.49 -29.34 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.644 0.259 . . . . 0.0 110.91 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.91 86.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.514 ' HB3' ' HG ' ' B' ' 5' ' ' LEU . 1.5 mp0 -78.31 -25.78 46.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.015 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.413 ' O ' HG12 ' B' ' 14' ' ' ILE . 67.2 t80 -64.55 -47.27 79.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 174.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -26.66 65.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.024 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.56 -38.75 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.677 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.45 -45.94 64.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.492 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.413 HG12 ' O ' ' B' ' 10' ' ' PHE . 10.0 pt -78.14 -37.54 22.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.525 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.5 OUTLIER 39.52 -111.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.275 1.03 . . . . 0.0 112.819 178.254 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -119.67 35.94 3.66 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 17' ' ' LEU . 2.5 mm? -80.87 166.82 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -93.78 84.73 4.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.15 0.5 . . . . 0.0 110.21 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.27 132.39 71.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.016 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.85 136.37 41.09 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.113 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.4 tt0 -67.62 -18.11 64.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.32 -46.79 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.669 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.13 -32.89 74.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.921 176.352 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' B' ' 21' ' ' GLN . 90.2 mt -64.67 -37.03 79.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.434 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.73 -30.04 63.84 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.636 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' B' ' 23' ' ' THR . 18.9 mt -71.43 -49.85 44.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.27 -19.52 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.595 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.2 ttm-85 -62.04 -29.7 70.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.107 176.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.67 -38.17 1.94 Allowed Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.018 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' B' ' 55' ' ' VAL . 2.4 t -73.68 -41.27 55.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.825 0.45 . . . . 0.0 111.358 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.536 HD11 ' HE3' ' B' ' 59' ' ' TRP . 1.3 tt -94.24 -45.96 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.461 -176.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 88.4 t -71.32 -54.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.391 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.45 -20.41 36.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.116 0.484 . . . . 0.0 110.391 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.717 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 78.23 48.02 7.84 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.667 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.07 138.98 27.23 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.703 -0.249 . . . . 0.0 110.849 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.24 134.31 58.29 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.248 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -71.74 -27.59 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.79 -172.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.398 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -41.89 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.41 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -33.52 75.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.547 -177.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.522 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.9 -50.47 68.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.255 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -31.53 68.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.8 m -71.76 -39.83 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.419 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.69 -22.02 28.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.85 24.17 42.88 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.93 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.87 170.73 7.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.1 155.51 34.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 110.603 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.16 -35.9 78.71 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.365 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.5 75.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.573 ' HA ' HG21 ' B' ' 26' ' ' ILE . 76.4 t -68.8 -40.66 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 52.0 m -73.85 -21.51 60.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.29 72.09 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.86 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.685 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.457 ' HB ' ' CG1' ' B' ' 30' ' ' VAL . 9.9 p -66.99 -36.63 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -39.54 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.887 178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.06 10.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.404 ' HB ' HD13 ' B' ' 31' ' ' LEU . 79.3 t -66.85 -37.67 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.687 0.28 . . . . 0.0 110.803 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.536 ' HE3' HD11 ' B' ' 31' ' ' LEU . 23.6 t-105 -63.03 -41.07 99.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 175.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.64 70.85 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.371 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 -38.07 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.43 -38.33 77.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.823 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.13 -37.96 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.126 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.816 177.387 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.323 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 118.96 28.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.981 0.419 . . . . 0.0 110.385 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 83' ' ' ALA . 16.5 m -86.38 135.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.695 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -132.5 124.58 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.911 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -152.31 168.1 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.085 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.743 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 12.4 t -86.55 109.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.477 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -157.01 142.26 12.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.419 -179.126 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 93' ' ' ALA . 23.5 Cg_exo -65.39 155.96 65.9 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.666 2.244 . . . . 0.0 112.802 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -18.75 63.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.225 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -62.68 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.218 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.416 ' O ' HG23 ' B' ' 86' ' ' VAL . 5.1 mp0 -72.67 -27.96 62.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.86 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.525 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -63.76 -22.07 66.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.138 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.45 -44.77 65.72 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.199 173.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.416 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.89 -31.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.211 -178.028 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 82' ' ' GLN . 13.6 t -68.47 -34.52 66.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.912 0.387 . . . . 0.0 110.983 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtm105 -70.01 -27.46 64.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -35.31 65.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 174.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -72.79 -18.04 61.52 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.417 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.44 -46.33 80.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.372 0.606 . . . . 0.0 111.291 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.59 -29.44 65.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.147 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -26.19 57.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.497 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.511 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.624 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 66.7 mtt180 . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 121.087 0.47 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 5' ' ' LEU . 2.8 tp -117.72 148.93 41.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.58 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.93 162.78 18.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -61.71 -32.23 72.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.213 0.321 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -36.75 73.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -78.01 -36.42 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.672 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE1' HG11 ' A' ' 58' ' ' VAL . 76.2 t80 -66.34 -45.63 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.83 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -67.64 -26.27 66.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.4 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -32.77 68.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.75 -47.36 26.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.446 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.88 -8.77 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 1.7 tm0? -68.55 -34.15 75.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.83 7.98 76.66 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.85 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -120.2 158.2 27.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.353 -176.596 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.85 85.28 2.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.225 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.51 169.57 11.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.517 177.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.68 141.94 48.13 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.617 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -25.73 66.66 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -176.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -66.4 -42.85 87.21 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.756 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -68.44 -37.05 79.88 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.52 -41.85 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.906 0.384 . . . . 0.0 110.414 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -66.82 -25.62 66.53 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 23' ' ' THR . 48.5 mt -66.48 -50.77 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -70.38 -20.06 62.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.363 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 5.6 ttp180 -64.72 -29.82 70.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.101 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . -108.13 -22.79 7.01 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.184 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.811 HG11 HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.57 -42.65 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.842 0.353 . . . . 0.0 111.009 -176.647 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 64.8 mt -95.24 -47.47 6.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.518 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 44.2 t -64.5 -43.35 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 120.77 0.319 . . . . 0.0 111.589 -177.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.15 -18.09 29.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.018 0.437 . . . . 0.0 110.496 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.624 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 74.81 46.17 18.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.93 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -99.91 149.93 36.4 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.483 -0.358 . . . . 0.0 110.72 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 24.6 Cg_exo -64.29 144.13 85.29 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.711 2.274 . . . . 0.0 112.206 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.857 ' HG2' HG21 ' A' ' 55' ' ' VAL . 2.1 mp0 -72.99 -29.59 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.475 -175.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.34 84.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.416 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.87 -46.37 89.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -33.77 72.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.791 -173.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.775 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -67.08 -52.69 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.553 -176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -26.11 59.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.148 -176.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.0 m -73.72 -41.27 62.79 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -84.34 -18.55 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.94 0.4 . . . . 0.0 111.18 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.99 19.22 56.44 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.403 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.66 176.23 6.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.0 154.95 24.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.25 81.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.618 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -68.65 -26.41 74.47 Favored Glycine 0 N--CA 1.45 -0.408 0 O-C-N 123.885 0.741 . . . . 0.0 113.396 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.79 59.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.878 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' A' ' 41' ' ' ALA . 44.0 t -71.79 -41.44 70.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.662 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 p -69.32 -28.54 66.34 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.749 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 2.1 tm0? -65.73 -38.71 89.9 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.851 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.756 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -64.83 -35.32 80.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.857 HG21 ' HG2' ' A' ' 37' ' ' GLN . 10.7 t -59.92 -52.32 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -35.09 79.5 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.198 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -57.77 -52.57 64.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.879 0.472 . . . . 0.0 111.668 -177.806 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.4 t -78.21 -35.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.779 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -65.48 -41.13 93.64 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.77 75.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.62 0.248 . . . . 0.0 111.073 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.605 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.42 -41.4 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.348 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.48 -31.26 71.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.685 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -33.46 65.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.19 0.519 . . . . 0.0 110.303 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.688 177.284 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.204 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' B' ' 77' ' ' VAL . 17.1 mtm180 -82.82 105.95 14.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' B' ' 83' ' ' ALA . 33.2 m -92.39 140.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.243 0.544 . . . . 0.0 111.161 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.91 126.45 47.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.94 44.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.034 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -79.05 110.14 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.649 ' HG ' ' HB2' ' B' ' 93' ' ' ALA . 0.2 OUTLIER -150.32 142.59 15.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.828 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 15.1 Cg_exo -67.96 160.86 46.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.471 2.114 . . . . 0.0 112.625 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.73 -20.25 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -44.0 91.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.042 0.449 . . . . 0.0 109.936 172.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -26.6 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.996 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.11 -23.14 65.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.125 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -54.62 -46.89 73.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.257 0.551 . . . . 0.0 110.249 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -30.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.802 -178.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -66.01 -33.86 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -63.23 -38.08 89.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.74 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.19 -32.99 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.708 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -69.36 -26.86 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.147 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.57 -43.91 95.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.01 72.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.007 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.22 -38.41 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.801 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.708 ' HB1' ' HD3' ' B' ' 79' ' ' PRO . . . -64.99 -38.13 89.96 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.585 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -71.3 -36.33 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.261 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.608 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.641 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tp -137.69 164.83 27.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.56 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.7 p -95.4 165.38 12.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -32.18 73.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 111.093 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.68 80.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -75.16 -31.46 61.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -62.62 -47.68 82.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -68.98 -26.61 65.12 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.762 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -33.01 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.87 -39.48 61.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.83 8.26 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -58.88 2.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.138 0.975 . . . . 0.0 113.351 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.84 20.15 29.57 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.1 OUTLIER -95.19 92.11 6.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.256 0.551 . . . . 0.0 110.602 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.75 84.45 5.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.95 0.881 . . . . 0.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.03 -163.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.005 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 130.49 23.9 Favored Glycine 0 C--N 1.316 -0.54 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.603 ' HA ' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -73.07 -20.35 60.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.172 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -36.02 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.496 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.825 HG22 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -68.63 -35.69 77.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 174.114 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 21' ' ' GLN . 58.2 mt -67.68 -35.33 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.996 0.427 . . . . 0.0 109.939 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.21 -27.19 67.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.213 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 23' ' ' THR . 51.8 mt -65.76 -49.97 73.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.62 -23.3 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.717 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.593 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 8.8 ttt180 -66.37 -30.01 70.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.214 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.34 -38.99 2.91 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.017 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.851 HG11 HG22 ' B' ' 55' ' ' VAL . 1.3 t -70.0 -43.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 122.948 0.499 . . . . 0.0 111.551 -175.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.495 ' HG ' HG12 ' B' ' 30' ' ' VAL . 83.8 mt -98.0 -47.26 5.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.637 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 57.8 t -67.12 -48.92 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.432 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.46 -27.23 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 110.283 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.641 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 84.22 43.87 6.87 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.714 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.514 ' HE3' ' HD2' ' B' ' 36' ' ' PRO . 15.5 mmmt -93.43 145.27 29.68 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.287 . . . . 0.0 111.67 -175.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' HE3' ' B' ' 35' ' ' LYS . 10.6 Cg_endo -55.83 137.04 77.42 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.515 2.81 . . . . 0.0 112.734 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.624 ' HG2' HG21 ' B' ' 55' ' ' VAL . 2.7 mp0 -76.82 -26.94 54.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.993 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.23 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.564 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -37.0 82.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.482 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -66.35 -34.06 77.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.147 -177.593 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.669 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.63 -44.7 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.18 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -34.47 75.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.718 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.0 m -70.33 -44.64 67.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.83 -17.21 38.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 111.644 -175.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.73 14.3 73.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.616 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.69 161.91 14.7 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.68 156.34 36.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -58.44 -38.43 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.279 0.362 . . . . 0.0 111.175 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.03 94.21 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.788 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.48 71.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.212 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' B' ' 41' ' ' ALA . 40.7 t -69.11 -46.01 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.341 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -70.21 -18.61 63.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.546 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -36.74 77.48 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.357 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.825 ' HB2' HG22 ' B' ' 23' ' ' THR . . . -68.87 -40.6 79.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.851 HG22 HG11 ' B' ' 30' ' ' VAL . 12.8 t -57.28 -51.6 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.247 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -65.73 -43.23 89.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.165 -177.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' B' ' 57' ' ' ARG . 0.5 OUTLIER -68.1 -45.63 73.19 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.45 -40.31 79.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 110.468 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -65.86 -36.92 84.8 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.923 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.67 81.92 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.262 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.71 77.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.034 0.445 . . . . 0.0 110.675 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.07 -44.24 69.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 178.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.96 -32.0 68.74 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.448 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 110.421 175.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.45 111.92 17.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.164 0.507 . . . . 0.0 109.892 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 78' ' ' LEU . 34.2 m -86.22 131.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.345 0.593 . . . . 0.0 110.265 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.42 115.13 21.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.278 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.04 150.37 44.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.654 HG22 ' HG2' ' A' ' 73' ' ' ARG . 15.7 t -78.78 110.4 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.567 ' HA ' ' HB1' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -138.08 149.65 64.52 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.926 -176.028 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.708 ' HD3' ' HB1' ' A' ' 93' ' ' ALA . 21.6 Cg_exo -67.38 154.44 73.89 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.184 1.923 . . . . 0.0 111.419 172.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -67.49 -22.2 65.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.81 -175.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -63.13 -49.06 75.89 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.313 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -72.48 -28.72 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.08 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.516 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -64.99 -23.51 67.24 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.098 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -55.81 -48.34 75.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.161 0.505 . . . . 0.0 110.108 173.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.422 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.2 OUTLIER -77.11 -26.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.823 -178.231 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 53.4 t -68.06 -35.81 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -36.71 83.9 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.814 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.56 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.525 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -73.34 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.381 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -43.62 98.43 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.275 0.559 . . . . 0.0 109.923 172.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.98 61.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.453 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.52 -40.36 92.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.862 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.828 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--O 1.234 0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.467 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 121.222 0.534 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.8 tp -92.82 155.85 17.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.413 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 p -91.53 153.21 19.93 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.15 -27.08 68.48 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.487 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -65.74 -45.54 82.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.81 0.338 . . . . 0.0 110.556 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -78.32 -23.37 47.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.48 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CE2' HG23 ' A' ' 24' ' ' ILE . 64.0 t80 -58.32 -46.7 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.306 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -46.45 64.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.791 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.77 -46.47 89.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.058 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -59.51 -48.9 79.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.036 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.9 pt -82.48 -14.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.973 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -52.4 -48.54 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.053 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.46 6.22 82.35 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.311 -174.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 13' ' ' ALA . 3.8 mm? -115.1 147.33 40.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 111.581 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.85 84.65 6.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.67 HG23 HD11 ' A' ' 24' ' ' ILE . 4.0 m -115.7 134.12 59.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.073 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.46 35.11 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.467 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 36.7 mt-30 -61.28 -25.97 67.46 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' ILE . 34.7 tt0 -59.43 -51.37 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 174.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -63.67 -37.83 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.114 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.67 HD11 HG23 ' A' ' 19' ' ' VAL . 70.6 mt -60.69 -48.03 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.318 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.36 -26.76 68.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.527 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 87.1 mt -69.67 -50.99 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.44 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.798 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.755 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 37.6 ttt180 -63.29 -27.97 69.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.965 0.412 . . . . 0.0 110.926 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -109.22 -40.45 1.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.766 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 t -71.89 -40.94 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 C-N-CA 122.779 0.432 . . . . 0.0 111.406 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.722 HD13 HG23 ' A' ' 55' ' ' VAL . 54.9 tp -100.88 -32.77 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.838 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.755 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 78.4 t -82.69 -46.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 111.328 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.1 t70 -84.91 -22.18 29.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.43 0.633 . . . . 0.0 109.574 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 83.38 28.7 35.44 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.006 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 66.4 mttm -76.2 137.78 68.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.903 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -57.05 135.82 73.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.67 2.246 . . . . 0.0 111.135 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -57.46 -31.93 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.642 -169.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.57 87.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.406 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -49.19 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.784 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 1.9 t80 -72.74 -34.01 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.037 -176.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.72 86.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.083 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 -27.4 65.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.165 0.507 . . . . 0.0 111.086 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -78.39 -55.96 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' A' ' 46' ' ' LEU . 11.1 mp -79.68 -27.44 40.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.37 -0.38 59.93 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.213 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 44' ' ' LEU . 8.6 mp -77.97 149.48 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 p -71.31 159.69 34.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.725 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -54.84 -39.27 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.542 0.21 . . . . 0.0 110.705 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.86 -40.79 97.25 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.58 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.37 80.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.169 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.94 -36.83 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.638 ' HA ' HG12 ' A' ' 55' ' ' VAL . 39.1 m -72.14 -23.45 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.019 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.76 -38.86 92.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 0.0 109.856 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.8 -48.81 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.421 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.722 HG23 HD13 ' A' ' 31' ' ' LEU . 7.1 p -65.79 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.693 -177.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -66.3 -49.67 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -63.56 -51.9 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.414 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.06 -45.59 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 110.84 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CE3' HD11 ' A' ' 31' ' ' LEU . 72.3 t-105 -61.79 -49.57 75.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.24 84.79 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 56.5 t80 -76.99 -41.17 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 110.187 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.72 -37.91 83.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -28.38 68.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.478 . . . . 0.0 110.638 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.163 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -128.77 131.26 47.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.59 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.821 HG12 ' HB2' ' B' ' 83' ' ' ALA . 31.9 m -88.56 141.46 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.258 0.552 . . . . 0.0 111.042 -177.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -136.89 130.83 32.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.74 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -156.54 150.65 25.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.523 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 2.7 m -78.68 127.28 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 174.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' HD2' ' A' ' 79' ' ' PRO . 1.7 tt -168.1 129.97 1.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.692 ' HD2' HD23 ' A' ' 78' ' ' LEU . 73.1 Cg_exo -37.93 133.32 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.972 3.114 . . . . 0.0 114.585 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.46 -27.88 66.49 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.039 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.18 -37.94 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -72.45 -25.81 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.329 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -53.75 -23.44 11.86 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 52.6 t80 -52.08 -49.13 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.242 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.408 ' H ' HG13 ' A' ' 85' ' ' ILE . 2.6 mt -75.29 -26.73 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.013 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.569 HG11 ' HB ' ' B' ' 74' ' ' VAL . 64.8 t -66.65 -39.96 85.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -68.04 -23.44 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.175 0.512 . . . . 0.0 110.492 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 84' ' ' TYR . 74.6 mmtt -80.79 -44.69 18.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.202 177.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -62.16 -38.08 87.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.855 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.3 tt0 -59.08 -46.65 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.312 0.577 . . . . 0.0 110.354 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.11 66.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.562 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -74.57 -40.56 61.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.661 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.18 77.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 110.665 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 109.959 177.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 27.0 ttpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.416 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.474 ' HB3' ' CA ' ' B' ' 34' ' ' GLY . 3.6 ppt_? . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 121.43 0.633 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.709 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 14.6 tp -105.68 160.83 14.9 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.804 -170.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -83.89 153.52 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 35.3 tt0 -66.93 -23.7 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.654 -174.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.5 m -64.0 -49.44 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -75.44 -28.95 59.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.035 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.524 ' O ' HG12 ' B' ' 14' ' ' ILE . 86.9 t80 -59.26 -46.29 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.58 173.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -45.13 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.455 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.26 -42.91 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.671 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.37 55.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.563 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.524 HG12 ' O ' ' B' ' 10' ' ' PHE . 32.0 pt -69.96 -18.58 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -56.82 -30.35 63.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.153 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.01 35.43 4.94 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' B' ' 61' ' ' ALA . 2.5 mm? -129.54 143.92 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 110.765 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -114.97 83.92 1.99 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.21 146.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.45 -172.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.03 142.8 43.9 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.52 175.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.94 -29.56 4.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.16 -40.73 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.361 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.56 HG23 ' HA ' ' B' ' 54' ' ' ALA . 6.8 m -64.48 -44.46 90.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.554 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.39 -41.92 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.04 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.29 -40.66 91.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.607 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' B' ' 51' ' ' VAL . 74.4 mt -71.56 -48.15 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.52 . . . . 0.0 110.132 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -62.7 -27.77 69.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.671 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.716 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 67.2 ttt180 -61.76 -27.52 68.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.958 0.409 . . . . 0.0 111.025 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.05 -40.69 1.51 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.842 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.97 -38.32 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 120.984 0.421 . . . . 0.0 111.208 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.6 tt -98.02 -40.61 8.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 84.5 t -79.19 -51.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 32.0 t70 -81.94 -24.16 35.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.57 0.7 . . . . 0.0 110.189 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' B' ' 4' ' ' ARG . . . 78.31 41.33 17.31 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.982 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -78.58 148.17 72.82 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.609 0.242 . . . . 0.0 110.538 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.51 118.1 4.92 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.387 2.058 . . . . 0.0 110.573 172.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -53.46 -40.74 65.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.672 -170.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 111.151 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.9 m -66.96 -44.37 80.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' PHE . . . . . 0.41 ' HE2' HG12 ' B' ' 26' ' ' ILE . 29.0 t80 -65.47 -40.59 93.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.415 0.626 . . . . 0.0 109.431 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.56 89.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.097 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.3 m -70.38 -32.37 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.919 0.39 . . . . 0.0 111.233 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -66.39 -52.27 48.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' B' ' 46' ' ' LEU . 9.2 mp -83.82 -33.58 24.88 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.49 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.05 -3.68 33.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.221 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' B' ' 44' ' ' LEU . 8.0 mp -71.82 147.23 47.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 156.32 39.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -53.17 -43.56 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.575 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -54.31 -38.59 62.41 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.707 -0.678 . . . . 0.0 113.181 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.09 -40.47 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.926 0.363 . . . . 0.0 111.062 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' B' ' 26' ' ' ILE . 70.9 t -68.35 -50.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m -68.93 -21.99 64.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 49.4 tt0 -66.54 -39.12 88.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.56 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.81 -44.64 85.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.577 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.05 -38.68 82.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.21 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -66.29 -47.34 73.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.263 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 57' ' ' ARG . 9.7 tpt180 -57.23 -50.52 72.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.345 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.0 -46.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.423 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.709 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 65.2 t-105 -62.26 -49.39 75.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.218 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.34 74.71 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' B' ' 17' ' ' LEU . . . -60.68 -46.29 90.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.937 0.398 . . . . 0.0 111.013 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.09 -46.14 88.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.857 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.07 -38.78 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.276 -177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 120.645 0.26 . . . . 0.0 111.475 -176.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 35.8 ptt180 -107.02 130.71 54.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.3 0.572 . . . . 0.0 110.231 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.569 ' HB ' HG11 ' A' ' 86' ' ' VAL . 17.0 m -85.39 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.474 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.7 m -125.49 130.6 52.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.154 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.63 152.39 36.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.855 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.5 t -78.74 109.95 13.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.538 ' HB2' HG22 ' A' ' 74' ' ' VAL . 41.7 mt -153.25 139.87 12.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.392 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.8 Cg_exo -63.35 155.37 62.47 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.425 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -53.73 -30.0 42.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.817 -173.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' HIS . . . . . 0.449 ' O ' ' HB3' ' B' ' 84' ' ' TYR . 21.9 m-70 -58.35 -33.1 69.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.522 ' O ' HG23 ' B' ' 86' ' ' VAL . 28.4 mm-40 -72.83 -46.72 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.6 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -60.63 -27.05 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' B' ' 81' ' ' HIS . 54.9 t80 -51.39 -43.35 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.436 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.1 mt -85.07 -37.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.587 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.565 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 83.4 t -58.54 -36.52 59.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.567 -175.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' B' ' 83' ' ' ALA . 50.6 mtt180 -60.57 -31.29 70.42 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -78.03 -26.04 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.564 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -77.41 -38.44 49.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 109.692 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.665 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 39.5 tt0 -60.28 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.952 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.82 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.79 -36.98 56.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.404 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 178.495 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.793 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.018 0.437 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.542 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 7.4 tp -134.53 166.76 22.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.827 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 163.58 12.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 172.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.75 -23.18 67.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.648 0.261 . . . . 0.0 111.466 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -45.58 82.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.083 0.468 . . . . 0.0 110.956 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.542 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 11.1 mp0 -78.47 -24.5 45.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.435 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.64 ' HE1' HG23 ' A' ' 24' ' ' ILE . 16.2 t80 -62.66 -53.7 50.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.68 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -64.95 -27.18 68.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.133 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.01 -32.31 65.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.976 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.11 -43.31 53.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.776 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -79.44 2.96 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.91 -52.75 64.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.98 0.512 . . . . 0.0 112.284 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.15 42.41 1.95 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.054 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.12 144.91 50.92 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.855 0.359 . . . . 0.0 110.765 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.22 83.53 4.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 173.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.37 126.51 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.907 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.11 169.95 55.04 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.744 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.092 0.557 . . . . 0.0 112.472 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.12 -47.12 75.17 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.296 -0.161 . . . . 0.0 110.576 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -61.13 -37.83 84.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.531 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.64 HG23 ' HE1' ' A' ' 10' ' ' PHE . 73.7 mt -70.31 -47.51 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.34 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.89 -31.77 61.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.19 -45.15 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.03 65.78 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.653 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.79 -29.79 69.07 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.184 -0.323 . . . . 0.0 111.062 176.272 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 33' ' ' ASP . . . -111.67 -0.51 27.54 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.671 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 2.0 t -112.84 -46.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.769 HD23 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -90.29 -49.06 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -178.229 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG21 ' HD2' ' A' ' 28' ' ' ARG . 93.0 t -71.48 -33.44 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.064 0.459 . . . . 0.0 110.773 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 1.1 t0 -90.62 -19.1 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.793 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.71 46.05 78.89 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.047 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 mttt -118.15 148.8 44.41 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.373 0.13 . . . . 0.0 110.959 -176.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 29.2 Cg_exo -61.84 139.08 78.02 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.188 2.592 . . . . 0.0 113.383 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.689 ' HB3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -72.53 -23.24 60.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.927 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.13 97.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.441 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.46 71.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.153 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.417 ' HB3' HG11 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -66.77 -39.46 87.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.182 -175.65 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -65.88 -50.27 65.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.552 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -22.77 61.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 m -76.57 -41.62 45.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.067 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -22.6 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.742 -176.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.7 20.33 34.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.541 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.61 171.53 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.237 -0.481 . . . . 0.0 109.816 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.54 156.29 20.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.096 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -43.99 97.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 110.825 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.22 -27.8 73.23 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 113.017 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.35 46.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 37' ' ' GLN . 90.7 t -71.62 -39.69 70.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.861 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -74.04 -16.76 61.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.66 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -69.73 -33.41 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 176.356 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.598 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.9 -47.3 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.042 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.769 HG23 HD23 ' A' ' 31' ' ' LEU . 7.7 p -65.95 -36.73 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.156 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -65.34 -50.11 66.83 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.605 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -69.37 -48.86 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.157 -173.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 ' CE2' ' A' ' 10' ' ' PHE . 71.2 t -70.47 -41.66 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.583 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' HE3' HD11 ' A' ' 31' ' ' LEU . 71.2 t-105 -64.84 -43.64 92.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.307 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.25 72.35 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.111 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.1 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.105 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -73.29 -37.17 66.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.849 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.83 -35.63 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.97 -30.35 50.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptp . . . . . 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.203 -179.844 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 5.9 ptp85 -123.9 124.3 42.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.6 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -92.01 115.55 31.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.741 0.781 . . . . 0.0 111.171 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.48 HG23 HG23 ' B' ' 75' ' ' THR . 0.2 OUTLIER -83.12 116.37 22.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.074 177.33 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB1' ' HG3' ' B' ' 90' ' ' GLU . . . -122.42 155.92 35.09 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.754 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.427 HG13 ' HB3' ' B' ' 73' ' ' ARG . 1.4 t -108.87 108.75 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -164.08 130.0 2.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.926 -170.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.883 ' HA ' ' HB3' ' B' ' 72' ' ' ALA . 37.1 Cg_exo -63.17 157.49 49.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.113 2.542 . . . . 0.0 113.043 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -68.9 -19.55 64.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.185 -174.249 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.88 40.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.822 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -73.42 -27.56 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.825 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -62.91 -20.83 65.56 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.596 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -52.27 -44.58 65.02 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.374 0.421 . . . . 0.0 111.073 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -83.73 -34.01 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 -37.35 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.88 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.03 -32.97 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.641 0.377 . . . . 0.0 111.384 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -73.74 -45.42 52.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.558 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -65.45 -41.81 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' B' ' 76' ' ' ALA . 22.9 mm-40 -77.49 -22.91 50.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.146 -176.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.29 76.86 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.362 0.601 . . . . 0.0 109.417 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.25 -29.72 60.28 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.321 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.92 73.21 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -38.54 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.176 174.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.103 178.105 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.621 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.9 mtt-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.444 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 11.1 tp -117.19 161.77 18.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.29 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -93.76 163.56 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.872 0.368 . . . . 0.0 110.62 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -45.66 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -73.66 -31.28 63.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.129 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -65.3 -46.98 78.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.07 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.19 -32.5 72.78 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.93 -42.52 97.34 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.27 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.921 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 pt -76.3 -22.3 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -173.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.31 -6.43 59.24 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.816 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.07 6.04 58.06 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 171.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.4 OUTLIER -124.2 163.26 21.95 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.775 0.43 . . . . 0.0 111.028 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.98 84.62 2.28 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.23 161.9 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.892 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.45 146.76 43.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.28 -1.327 . . . . 0.0 113.524 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.88 -19.22 61.33 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.88 -46.49 68.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -37.5 80.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.3 177.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.4 -41.18 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.684 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.13 -33.1 75.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.491 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 39.2 mt -69.7 -50.93 45.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.32 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.677 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -30.05 71.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.582 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.63 -36.02 2.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.631 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.613 HG11 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -66.04 -41.12 89.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.965 0.506 . . . . 0.0 111.454 -176.701 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.549 HD21 HG23 ' B' ' 55' ' ' VAL . 28.9 mt -97.6 -52.0 3.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.473 -177.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.85 -39.34 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -93.46 -14.38 26.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.753 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 73.99 48.38 16.15 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.0 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 138.04 21.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.698 -0.251 . . . . 0.0 110.931 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.6 139.88 91.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.962 2.441 . . . . 0.0 112.266 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.483 -174.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.75 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.657 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.8 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.407 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -37.94 81.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.599 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.56 -47.0 83.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.284 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -65.45 -41.65 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.738 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -74.48 -29.71 61.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -83.42 -27.51 29.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 26.7 32.77 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.407 HD23 HD11 ' B' ' 26' ' ' ILE . 1.8 mp -103.86 170.63 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.34 154.49 30.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 48' ' ' ARG . 4.2 ttp180 -64.41 -42.76 95.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.114 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.22 -26.97 73.39 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.76 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.07 -39.83 65.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 110.708 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' B' ' 41' ' ' ALA . 44.8 t -71.28 -39.72 73.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.47 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 m -73.41 -20.64 60.68 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.446 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.7 73.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.447 173.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.15 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.972 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.613 ' HB ' HG11 ' B' ' 30' ' ' VAL . 3.3 p -66.37 -39.05 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.123 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -69.04 -48.38 63.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.22 -38.57 77.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.434 0.159 . . . . 0.0 111.315 -175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TRP . . . . . 0.444 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 53.1 t-105 -67.22 -42.15 84.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.784 0.326 . . . . 0.0 110.949 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.81 82.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.3 -39.69 81.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.75 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.16 -49.53 75.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.53 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.87 -43.29 93.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.773 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.696 0.284 . . . . 0.0 111.591 -178.406 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.883 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.427 ' HB3' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -139.79 115.36 10.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.207 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -96.95 138.6 21.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.729 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' THR . . . . . 0.48 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -98.59 113.83 26.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.138 177.212 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.43 ' HB1' ' HG3' ' A' ' 90' ' ' GLU . . . -112.0 173.22 6.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -124.38 109.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.366 -179.038 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' B' ' 82' ' ' GLN . 2.3 tp -163.1 140.88 6.15 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.13 -171.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.81 158.38 38.16 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.17 2.58 . . . . 0.0 113.241 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -18.72 64.17 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.201 -176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -60.46 -55.27 35.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.48 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.592 ' HB3' HD21 ' B' ' 78' ' ' LEU . 6.2 tt0 -72.11 -26.46 62.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.51 62.42 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -52.44 -46.86 66.59 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.483 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.66 -32.62 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.698 -178.442 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.82 -42.0 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.944 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -40.36 61.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.107 0.563 . . . . 0.0 111.841 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.39 -33.15 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -79.82 -32.96 40.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.702 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.644 ' HG3' ' HB1' ' A' ' 76' ' ' ALA . 18.7 mm-40 -77.34 -24.02 50.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.144 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.78 -22.54 37.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.16 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.461 ' HB1' HD12 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.707 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ttt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.868 0.366 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 28.5 mmtt -107.17 -151.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.804 176.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -133.14 163.84 28.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.461 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.652 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 3.8 mtp-105 -94.25 170.68 9.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.056 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 5.9 tp -136.49 123.76 21.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.585 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 160.68 32.42 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -46.72 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.882 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -73.66 -27.66 61.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.586 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CE2' ' HD2' ' A' ' 28' ' ' ARG . 24.1 t80 -65.63 -46.35 79.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.416 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 123.508 0.505 . . . . 0.0 111.547 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -39.83 94.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.803 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -49.74 16.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.16 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 14.7 pt -74.1 -10.55 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.05 -27.24 63.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.664 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 20.8 42.41 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.825 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -108.6 119.64 40.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.42 82.8 3.72 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.89 155.45 10.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.212 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.95 156.05 50.02 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.624 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 24' ' ' ILE . 2.9 mt-30 -64.29 -18.09 64.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.425 -0.387 . . . . 0.0 112.038 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -62.73 -47.52 83.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.287 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -69.91 -33.68 72.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.282 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 21' ' ' GLN . 76.0 mt -69.19 -39.4 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.2 -25.68 65.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.667 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 31.5 mm -62.5 -50.71 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -71.48 -19.84 62.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.686 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.593 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -66.63 -28.94 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.407 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.36 -25.9 5.62 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.127 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.83 HG11 HG22 ' A' ' 55' ' ' VAL . 1.3 t -80.58 -45.62 21.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.441 HD12 ' HB1' ' A' ' 27' ' ' ALA . 30.9 mt -94.11 -45.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -176.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 84.2 t -64.74 -41.5 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.302 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.45 -14.3 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.1 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.76 48.77 59.57 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.763 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -108.09 153.21 41.91 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.589 -0.305 . . . . 0.0 111.423 -172.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.74 131.91 46.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.421 2.747 . . . . 0.0 112.864 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HG2' HG21 ' A' ' 55' ' ' VAL . 7.4 mp0 -80.94 -27.35 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.421 -173.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.36 85.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.558 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -39.28 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.146 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -33.89 75.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.37 88.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.189 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -71.35 -27.12 63.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.803 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 m -77.26 -32.82 55.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.669 0.271 . . . . 0.0 111.578 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -99.55 -11.93 20.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 16.25 68.57 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.972 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -88.69 160.22 17.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 120.959 0.409 . . . . 0.0 110.722 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.38 157.27 34.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.318 171.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -63.06 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -26.14 72.73 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.982 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.27 -40.66 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.995 0.397 . . . . 0.0 110.842 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' VAL . 54.2 t -65.48 -49.61 77.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.485 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -64.42 -24.73 67.73 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.699 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.5 ' HB3' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -68.04 -38.43 82.51 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 175.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.639 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -72.37 -35.77 68.56 Favored 'General case' 0 CA--C 1.519 -0.215 0 O-C-N 123.159 0.287 . . . . 0.0 110.766 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.83 HG22 HG11 ' A' ' 30' ' ' VAL . 35.8 t -59.83 -53.88 42.32 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.644 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -67.17 -33.48 75.5 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.501 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -57.26 -51.03 71.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.136 0.425 . . . . 0.0 111.359 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 17' ' ' LEU . 94.2 t -73.76 -39.38 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.511 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -66.47 -33.0 74.72 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.809 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . . . -69.14 -30.94 69.3 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.452 0.301 . . . . 0.0 111.785 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.67 82.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 109.873 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.87 -37.13 70.23 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.717 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 60.3 mt-10 -61.22 -46.79 88.98 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.636 0.774 . . . . 0.0 111.207 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.99 -33.51 73.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.414 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -83.21 -36.01 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.856 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -111.55 -73.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 0.0 111.904 -169.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -153.02 108.61 2.66 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.286 -174.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.717 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 6.3 Cg_exo -79.3 -169.71 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.523 2.815 . . . . 0.0 113.791 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -77.31 170.75 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.653 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.52 -15.99 47.99 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.043 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -98.78 122.34 41.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.04 142.61 35.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.8 119.62 34.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.011 0.434 . . . . 0.0 110.432 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' B' ' 78' ' ' LEU . 28.9 m -93.07 143.72 10.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 120.5 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.164 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.777 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -133.71 149.01 51.5 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.154 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.618 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 61.2 t -78.8 115.69 21.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.474 ' HB2' HG22 ' B' ' 74' ' ' VAL . 14.2 mt -157.84 142.72 12.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.43 166.35 23.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.525 2.15 . . . . 0.0 112.847 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -23.69 64.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.301 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.09 -38.79 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -72.88 -31.28 64.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.764 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -62.54 -23.06 66.77 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.134 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.55 -45.7 66.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.222 0.534 . . . . 0.0 110.507 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -84.46 -32.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.102 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 73.9 t -62.96 -31.62 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -39.76 89.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.13 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -76.02 -29.42 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -72.21 -33.8 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.4 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.877 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 19.1 tt0 -64.86 -43.48 92.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.392 176.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.44 67.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.959 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -42.07 63.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.26 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.65 74.78 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 174.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.551 ' HG3' ' HD2' ' A' ' 100' ' ' LYS . 6.1 ttpt -83.5 -11.23 57.7 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.851 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -35.32 30.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 109.941 176.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.0 -13.85 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.374 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -117.06 118.41 32.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.83 89.49 6.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.507 0.67 . . . . 0.0 111.094 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.551 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -126.54 149.84 49.16 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.707 177.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.699 -177.209 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.401 ' HD3' ' CD1' ' B' ' 59' ' ' TRP . 16.0 mttt -96.58 -170.4 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -73.28 168.23 19.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 111.321 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.467 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 0.0 OUTLIER -120.91 164.3 16.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.129 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.594 HD22 ' HZ3' ' B' ' 59' ' ' TRP . 0.6 OUTLIER -151.86 176.1 11.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.102 -175.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.224 -173.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.622 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.3 tt0 -64.85 -24.36 67.52 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.209 0.318 . . . . 0.0 111.614 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -46.54 89.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -78.87 -25.88 43.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.727 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.622 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 69.1 t80 -65.16 -38.56 90.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.339 175.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -36.3 83.48 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.847 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.56 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -75.18 -49.16 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.907 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.488 HG21 HG23 ' B' ' 24' ' ' ILE . 7.0 pt -74.78 -9.83 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -175.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.67 -6.84 57.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.455 0.645 . . . . 0.0 111.168 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.3 39.34 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.76 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -130.53 126.28 36.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 111.35 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -100.99 83.89 2.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.194 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.576 HG22 ' HB3' ' B' ' 17' ' ' LEU . 2.8 m -129.37 166.14 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.76 -175.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 154.59 50.55 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.133 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -60.11 -26.75 66.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.581 . . . . 0.0 111.962 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.32 -48.22 82.69 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.071 0.232 . . . . 0.0 110.908 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.508 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -61.23 -41.01 96.12 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.643 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.488 HG23 HG21 ' B' ' 14' ' ' ILE . 31.8 mt -69.83 -43.61 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.43 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.04 -29.27 66.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.416 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 27.8 mm -65.55 -49.08 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.54 70.8 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.809 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.656 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 4.3 ttt180 -61.15 -28.76 69.35 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.089 0.556 . . . . 0.0 112.134 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.83 -29.33 4.69 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.015 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.797 HG11 HG22 ' B' ' 55' ' ' VAL . 0.9 OUTLIER -74.92 -49.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 122.424 0.289 . . . . 0.0 111.638 -173.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.54 1.94 13.71 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.7 t -97.46 -52.26 9.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 O-C-N 121.829 -0.544 . . . . 0.0 109.843 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -83.61 -37.3 23.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.925 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 94.16 49.68 2.39 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.29 -177.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 31.0 mmtm -99.54 144.8 28.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.702 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 34.3 Cg_exo -57.3 135.49 70.52 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.103 2.535 . . . . 0.0 112.742 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.403 ' HG2' HG21 ' B' ' 55' ' ' VAL . 0.3 OUTLIER -76.64 -30.39 56.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.256 -174.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.75 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -27.1 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.341 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -35.7 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.84 82.33 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.975 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -35.33 63.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.743 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -68.27 -50.91 50.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.1 43.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.034 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.9 23.96 50.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.679 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -87.64 164.15 16.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.87 156.23 32.31 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -39.98 91.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.45 -28.92 72.96 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.94 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.16 57.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.861 0.33 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.437 ' O ' HG23 ' B' ' 55' ' ' VAL . 70.6 t -64.98 -43.64 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 m -65.8 -29.8 70.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.581 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -69.46 -33.99 73.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.058 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -68.02 -39.96 83.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.03 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.797 HG22 HG11 ' B' ' 30' ' ' VAL . 2.7 t -62.84 -49.35 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.923 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.86 -44.04 91.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.295 -175.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -66.87 -48.89 67.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.612 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.54 -43.59 62.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.296 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.594 ' HZ3' HD22 ' B' ' 5' ' ' LEU . 58.4 t-105 -65.21 -42.67 93.27 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.124 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 63' ' ' GLU . . . -63.74 -28.91 70.2 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.79 90.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.061 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 53.6 t80 -68.84 -35.35 76.85 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.159 0.504 . . . . 0.0 110.183 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.913 ' HB3' ' HA ' ' B' ' 68' ' ' PRO . 36.8 mt-10 -67.82 -28.54 67.66 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.601 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' B' ' 68' ' ' PRO . 0.6 OUTLIER -65.07 -22.62 66.99 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -179.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -97.99 2.84 49.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.482 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -132.73 -79.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.309 0.575 . . . . 0.0 110.25 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' B' ' 68' ' ' PRO . 2.9 tp -161.44 109.66 1.22 Allowed Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.724 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' PRO . . . . . 0.913 ' HA ' ' HB3' ' B' ' 63' ' ' GLU . 3.9 Cg_exo -80.64 173.15 12.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.123 2.549 . . . . 0.0 113.535 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.97 125.76 24.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.534 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.25 53.97 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.686 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.36 126.76 52.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.79 125.45 53.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.314 0.578 . . . . 0.0 111.308 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -122.51 108.71 13.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' A' ' 78' ' ' LEU . 35.7 m -84.96 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.75 0.786 . . . . 0.0 111.153 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.22 115.5 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.898 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.6 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -139.59 166.0 25.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.64 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.877 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 46.8 t -78.23 112.35 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' B' ' 79' ' ' PRO . 0.1 OUTLIER -149.37 145.27 18.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.616 ' HD2' HD12 ' B' ' 78' ' ' LEU . 45.9 Cg_endo -69.72 170.91 15.43 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.209 1.94 . . . . 0.0 112.804 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -20.08 64.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.54 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.116 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.125 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.621 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -65.2 -23.91 67.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.079 -177.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -55.09 -46.47 75.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.263 0.554 . . . . 0.0 110.415 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.81 -26.37 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.697 -177.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.777 HG13 ' HB2' ' A' ' 76' ' ' ALA . 3.5 t -62.94 -36.62 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -42.16 76.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -38.9 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.879 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.53 -27.34 66.02 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.221 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.618 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -56.63 -50.57 71.63 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 176.505 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.46 -22.62 43.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.733 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -36.89 59.2 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.2 65.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.22 89.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.023 173.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -68.07 -23.64 64.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.511 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -29.06 64.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.611 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -94.54 -20.15 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.669 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.553 ' HB3' ' HG2' ' B' ' 100' ' ' LYS . 27.9 mt-10 -85.9 147.66 26.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.796 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.47 34.36 4.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.572 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' B' ' 98' ' ' GLU . 3.5 pttt -79.29 108.2 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 101' ' ' ARG . 17.2 mtm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.598 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -88.8 85.23 6.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -87.93 155.45 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.273 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.654 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 91.9 mtt180 -95.51 156.52 16.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 -174.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 21.5 tp -119.22 155.75 31.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.782 -175.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.0 p -99.06 162.52 13.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.228 -0.295 . . . . 0.0 111.493 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -51.32 -47.81 62.56 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.245 0.545 . . . . 0.0 110.55 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -56.5 -54.52 44.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.733 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -71.87 -23.43 61.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.334 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.23 -45.62 87.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.111 0.481 . . . . 0.0 110.07 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -64.69 -38.79 92.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.219 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.55 -27.78 63.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.693 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.5 21.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.487 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' GLN . 28.9 pt -70.39 -45.8 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.416 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 14' ' ' ILE . 23.8 tt0 45.56 -90.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.991 0.916 . . . . 0.0 113.021 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.36 22.88 3.5 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.281 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -71.09 138.4 49.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.326 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.09 83.54 7.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.534 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.91 142.66 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.134 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.69 143.62 38.82 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.324 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -56.34 -23.38 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.068 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 26' ' ' ILE . 2.9 tp-100 -59.3 -51.22 70.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.879 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -28.72 63.37 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.135 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 21' ' ' GLN . 78.7 mt -64.0 -46.76 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.351 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.96 -25.76 65.6 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 22' ' ' GLN . 86.4 mt -66.36 -51.11 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.33 68.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.887 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.681 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 6.9 tmm_? -62.22 -29.28 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.003 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -107.19 -36.67 2.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.798 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 37' ' ' GLN . 3.0 t -68.01 -44.45 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 122.935 0.494 . . . . 0.0 111.569 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.762 HD21 HG23 ' A' ' 55' ' ' VAL . 64.5 mt -97.35 -53.55 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.68 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.681 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.5 t -62.73 -48.17 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.705 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.599 ' OD1' ' HG3' ' A' ' 35' ' ' LYS . 15.4 t70 -82.95 -36.42 25.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.506 0.669 . . . . 0.0 109.831 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 88.21 35.35 8.9 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.582 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.599 ' HG3' ' OD1' ' A' ' 33' ' ' ASP . 52.5 mttp -92.16 148.99 37.84 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.835 0.35 . . . . 0.0 111.391 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.47 123.42 11.27 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 112.091 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.535 ' HB3' ' CG1' ' A' ' 51' ' ' VAL . 1.5 mp0 -61.05 -35.58 77.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.78 -172.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.83 68.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.646 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -68.85 -41.54 78.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 110.269 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.444 ' HA ' HD13 ' A' ' 44' ' ' LEU . 92.3 m-85 -66.6 -37.24 84.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.954 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.17 -51.52 69.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.975 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -71.58 -46.08 60.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.817 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -73.69 -50.99 18.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 40' ' ' PHE . 8.2 mp -82.16 -15.29 53.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 111.089 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 42.44 6.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.075 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 51.7 mt -108.18 158.77 17.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -90.93 156.19 18.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 48' ' ' ARG . 2.7 ptm180 -61.3 -34.61 75.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.585 0.231 . . . . 0.0 110.945 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.68 -41.46 89.29 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.831 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.76 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 37' ' ' GLN . 84.5 t -60.64 -45.85 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.813 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.407 ' HA ' HG12 ' A' ' 55' ' ' VAL . 23.6 m -70.59 -28.09 64.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.627 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.12 -40.65 78.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.53 80.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.762 HG23 HD21 ' A' ' 31' ' ' LEU . 5.9 p -65.1 -38.54 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.503 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -66.94 -50.45 62.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -64.27 -50.73 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.3 -41.89 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.994 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.485 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 28.8 t-105 -67.85 -30.65 70.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.93 -35.77 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.61 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.209 0.528 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -65.69 -35.01 79.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.048 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.11 -47.24 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -35.49 80.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.89 -24.75 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 89.4 m-20 -89.85 -2.56 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.1 tp -114.48 91.35 24.22 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.795 0.331 . . . . 0.0 110.434 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 66' ' ' ASN . 1.2 Cg_endo -84.96 -32.6 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.101 2.534 . . . . 0.0 113.054 -178.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -85.58 84.47 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.353 0.597 . . . . 0.0 110.464 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.05 -13.39 79.36 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.166 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -101.89 123.64 46.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.467 . . . . 0.0 110.376 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.53 138.34 9.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 34.9 ptt180 -86.05 110.94 19.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.628 0.728 . . . . 0.0 109.569 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.433 HG21 ' HB2' ' B' ' 78' ' ' LEU . 15.4 m -93.78 114.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.296 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -96.82 130.33 44.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.734 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.14 144.73 31.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.662 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.746 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 11.6 p -82.7 132.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' B' ' 93' ' ' ALA . 68.7 mt -156.68 136.98 8.86 Favored Pre-proline 0 C--N 1.316 -0.87 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.14 139.18 80.34 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.274 1.983 . . . . 0.0 111.6 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -44.64 -44.56 9.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.9 0.75 . . . . 0.0 112.284 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.91 -27.63 63.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.819 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -73.12 -27.67 61.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 111.186 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -61.75 -23.98 66.52 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.067 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -52.01 -47.6 64.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.419 0.628 . . . . 0.0 110.115 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 mt -84.49 -24.78 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.605 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.25 -38.66 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.636 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -63.12 -24.13 67.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.189 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -69.77 -48.37 59.55 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -63.36 -37.42 87.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -57.72 -46.15 84.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.872 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.67 -23.18 49.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.221 0.534 . . . . 0.0 111.068 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -73.88 -33.1 63.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.022 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.577 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -66.95 -38.94 87.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -76.78 -21.16 55.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.252 0.549 . . . . 0.0 110.091 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.861 ' HG3' ' HE2' ' A' ' 100' ' ' LYS . 24.4 ttpt -68.23 -36.05 78.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.795 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.31 -10.83 60.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.29 0.566 . . . . 0.0 110.357 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -85.85 -20.5 29.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.2 -176.22 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.611 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -86.59 36.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.187 0.994 . . . . 0.0 109.603 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.861 ' HE2' ' HG3' ' A' ' 95' ' ' LYS . 41.9 mtpt -115.99 105.23 12.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.413 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.428 -175.549 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.48 148.62 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.62 163.15 26.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.796 0.331 . . . . 0.0 110.559 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.523 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 60.8 mtt180 -98.45 143.49 28.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 19.6 tp -111.79 119.3 38.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -176.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -74.06 157.43 36.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.07 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -50.2 -42.2 50.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.759 0.314 . . . . 0.0 111.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -58.15 -55.07 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.123 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -68.84 -27.56 65.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.743 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CE2' HG23 ' B' ' 24' ' ' ILE . 64.6 t80 -65.5 -50.08 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.329 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -63.88 -35.28 80.13 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.659 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -64.22 -37.89 89.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.975 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.36 56.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 31.2 pt -74.84 -38.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.741 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 39.9 -92.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.213 1.005 . . . . 0.0 113.189 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.93 28.61 2.93 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.27 159.42 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.81 0.338 . . . . 0.0 110.569 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.6 84.84 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.55 128.24 60.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.378 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 158.22 46.01 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.8 -19.2 65.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 26' ' ' ILE . 6.4 tp-100 -65.5 -50.52 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.829 HG23 ' HA ' ' B' ' 54' ' ' ALA . 14.1 m -57.8 -40.86 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.115 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.463 ' HB ' ' HA ' ' B' ' 21' ' ' GLN . 75.3 mt -66.62 -50.72 63.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.509 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.69 -33.66 74.33 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.643 HG21 ' HA ' ' B' ' 51' ' ' VAL . 85.0 mt -65.13 -48.18 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.24 -26.79 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.992 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.653 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 45.7 ttm-85 -73.03 -39.43 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.326 . . . . 0.0 110.922 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.76 -13.26 56.99 Favored Glycine 0 CA--C 1.51 -0.23 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.838 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.564 HG13 ' HG3' ' B' ' 37' ' ' GLN . 2.1 t -99.78 -48.97 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.268 -0.466 . . . . 0.0 110.736 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.628 HD21 HG23 ' B' ' 55' ' ' VAL . 95.3 mt -94.82 -52.84 4.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.57 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 48.1 t -62.9 -39.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.257 0.551 . . . . 0.0 111.347 -177.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -80.35 -21.24 42.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.659 0.742 . . . . 0.0 109.945 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.523 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 67.89 47.46 60.33 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.629 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -119.06 138.77 26.54 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.343 -0.428 . . . . 0.0 111.007 -173.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.7 123.74 6.19 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.503 2.802 . . . . 0.0 112.003 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.564 ' HG3' HG13 ' B' ' 30' ' ' VAL . 1.8 mp0 -57.5 -38.52 74.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.373 -169.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.2 69.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.431 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.7 m -65.22 -41.14 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 19.4 t80 -70.46 -39.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 109.604 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -61.37 -47.62 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.802 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -65.86 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.501 ' HB3' HD12 ' B' ' 44' ' ' LEU . 7.8 t -71.04 -54.77 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.294 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 43' ' ' SER . 6.9 mp -89.59 -1.34 57.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.85 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.35 38.32 39.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.32 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 80.1 mt -95.19 158.39 15.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.203 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.2 p -86.61 155.18 20.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 48' ' ' ARG . 1.5 ptm180 -63.22 -31.78 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.681 0.277 . . . . 0.0 110.569 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.71 -36.48 82.76 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.069 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.51 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.269 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' B' ' 41' ' ' ALA . 78.3 t -62.79 -41.25 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.475 ' HA ' HG12 ' B' ' 55' ' ' VAL . 42.7 m -68.82 -33.11 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.21 -44.98 96.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.462 . . . . 0.0 110.24 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.829 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -61.91 -49.21 77.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.504 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.628 HG23 HD21 ' B' ' 31' ' ' LEU . 7.1 p -68.93 -38.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.313 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -66.12 -51.49 57.42 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' B' ' 57' ' ' ARG . 9.1 mmt180 -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.12 -45.9 95.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.88 0.372 . . . . 0.0 110.519 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -66.03 -36.76 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.676 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.54 83.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.129 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.46 97.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.075 0.464 . . . . 0.0 109.892 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.09 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.197 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.91 -49.96 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -37.77 82.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -64.13 -29.55 70.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.434 . . . . 0.0 110.415 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASN . . . . . 0.443 ' O ' ' HD3' ' B' ' 68' ' ' PRO . 18.5 m-80 -87.86 21.94 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.227 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 41.4 tp -109.04 90.58 8.04 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' B' ' 66' ' ' ASN . 22.5 Cg_exo -64.98 -63.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.119 2.546 . . . . 0.0 112.562 -175.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.64 95.07 9.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.56 -10.38 70.9 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.609 -173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -116.4 141.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.086 0.443 . . . . 0.0 110.461 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.91 126.99 4.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.473 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.542 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 34.5 ptt180 -79.37 104.66 10.14 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.79 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 83' ' ' ALA . 21.8 m -91.08 124.44 43.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.6 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.3 p -87.91 122.72 31.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.138 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -129.26 173.59 10.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.502 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.485 HG13 ' HB3' ' A' ' 93' ' ' ALA . 12.2 p -124.55 135.39 64.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 93' ' ' ALA . 44.0 mt -163.59 160.58 17.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.52 138.05 79.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.112 1.875 . . . . 0.0 111.817 175.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -56.38 -32.71 65.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.191 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -73.59 -21.44 60.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.009 0.433 . . . . 0.0 110.826 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.2 -26.65 62.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.36 59.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.122 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' TYR . . . . . 0.481 ' HD2' HG12 ' B' ' 85' ' ' ILE . 36.9 t80 -53.83 -46.65 71.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.319 0.581 . . . . 0.0 110.446 176.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.481 HG12 ' HD2' ' B' ' 84' ' ' TYR . 3.7 mt -84.07 -27.86 7.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.942 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.75 -34.69 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.874 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -58.25 -34.7 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.488 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.02 -47.22 53.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.206 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.413 ' HD1' ' O ' ' B' ' 85' ' ' ILE . 36.7 m95 -62.12 -41.22 98.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.628 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.746 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 37.7 tt0 -59.42 -43.01 93.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.94 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.114 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -37.85 77.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.423 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.503 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -71.68 -36.62 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.231 0.538 . . . . 0.0 110.483 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -68.32 -35.01 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.775 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' B' ' 95' ' ' LYS . 34.4 ttpt -71.1 -17.46 62.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.411 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -69.13 -13.5 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.302 0.572 . . . . 0.0 110.343 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.09 -13.14 42.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.239 176.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.98 157.75 19.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.137 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 3.7 p -84.04 62.88 7.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -136.37 146.1 46.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.767 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.119 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 121.027 0.442 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 127.67 53.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.11 145.7 25.8 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 169.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 163.2 12.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.789 0.328 . . . . 0.0 110.182 -176.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 5' ' ' LEU . 7.7 tp -115.18 154.58 28.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 154.65 35.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.455 173.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.55 -25.81 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.705 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.89 60.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.107 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -75.14 -25.3 58.28 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.03 -47.1 78.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -42.35 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.956 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.75 83.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.702 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -84.76 -8.02 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -33.13 71.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.194 0.521 . . . . 0.0 110.826 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.63 23.49 34.78 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.112 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -130.96 120.25 23.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.041 0.448 . . . . 0.0 110.923 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.09 84.22 6.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.472 0.653 . . . . 0.0 109.765 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.34 163.66 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.785 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 136.34 46.4 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 114.948 -1.023 . . . . 0.0 112.991 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -66.91 -20.98 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.36 0.264 . . . . 0.0 111.277 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.29 -46.04 88.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.45 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.745 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -71.4 -30.35 66.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 21' ' ' GLN . 88.5 mt -66.15 -40.35 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.291 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.01 -27.11 66.28 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.387 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 23' ' ' THR . 39.7 mt -71.9 -49.79 42.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.269 177.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -64.85 -19.7 66.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.579 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.4 ttt85 -58.43 -29.09 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.16 -45.54 1.0 Allowed Glycine 0 C--O 1.224 -0.484 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.224 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 55' ' ' VAL . 30.4 m -75.82 -21.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 117.343 0.572 . . . . 0.0 112.402 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 1.1 tt -108.29 -50.58 3.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.221 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.4 t -68.07 -48.67 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.066 0.46 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.84 -12.39 39.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.25 33.33 77.77 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.63 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -85.7 158.47 56.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.434 0.117 . . . . 0.0 111.153 -173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.19 151.18 86.13 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.009 2.473 . . . . 0.0 113.274 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.3 -30.3 33.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.118 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.77 84.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.071 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -39.96 80.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -33.75 76.5 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.71 79.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.117 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -28.38 64.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -73.48 -42.62 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -93.91 -22.64 18.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.7 36.17 4.89 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.071 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.09 172.19 7.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.799 0.333 . . . . 0.0 110.608 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 156.23 17.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -59.88 -37.94 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.048 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -29.34 72.61 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.413 0.446 . . . . 0.0 113.19 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.27 -36.12 63.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.101 0.477 . . . . 0.0 110.206 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 26' ' ' ILE . 73.0 t -68.89 -42.16 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.015 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.513 ' HA ' HG23 ' A' ' 55' ' ' VAL . 8.0 p -72.39 -22.14 61.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 111.337 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -32.32 70.45 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.528 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -68.32 -36.96 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -63.89 -44.41 98.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.44 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.54 -45.59 86.48 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.743 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -60.29 -54.14 49.31 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.85 -36.94 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.121 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.425 ' HE3' HD11 ' A' ' 31' ' ' LEU . 27.9 t-105 -63.52 -42.64 98.46 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.402 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -32.03 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.129 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.94 87.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.065 0.459 . . . . 0.0 110.56 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -63.97 -43.47 95.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.673 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.42 -31.5 68.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.32 -38.24 78.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.435 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -80.66 -6.82 58.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.915 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.91 -7.78 56.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 177.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.11 85.5 0.17 Allowed Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 124.353 1.033 . . . . 0.0 111.695 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -71.29 136.97 30.15 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.982 2.455 . . . . 0.0 112.312 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -128.08 138.83 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.455 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.48 42.18 1.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.005 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.49 131.66 55.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.72 165.62 11.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 111.998 -170.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HB3' HG22 ' B' ' 75' ' ' THR . 0.0 OUTLIER -99.19 118.14 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.492 177.56 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -86.35 133.84 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.992 0.425 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.42 114.91 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.358 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.769 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -121.55 150.98 40.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.82 177.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.614 HG23 ' HG2' ' B' ' 90' ' ' GLU . 40.7 t -79.38 118.12 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HB2' HG22 ' B' ' 74' ' ' VAL . 3.3 mt -161.29 148.3 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.98 165.11 19.87 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.847 2.365 . . . . 0.0 113.108 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.41 -18.35 63.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.579 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.7 88.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 176.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -26.18 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.285 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -59.33 -22.84 61.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.89 -46.46 71.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.166 0.508 . . . . 0.0 110.625 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -82.99 -31.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.583 -178.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.682 HG13 ' HB2' ' B' ' 76' ' ' ALA . 54.9 t -62.86 -37.23 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.924 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 87' ' ' ARG . 2.1 ttt85 -62.61 -36.37 82.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -71.59 -39.93 70.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.746 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -73.26 -30.68 63.6 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.665 ' HG2' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -61.42 -42.21 98.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.384 175.343 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.68 -23.33 45.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.396 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -38.68 31.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.62 58.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.549 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -18.17 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.397 176.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -22.33 62.89 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.166 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -70.3 -25.49 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -23.26 19.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.066 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -167.2 1.75 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.932 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -42.28 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 16.9 mmtm 56.84 49.84 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.784 0.677 . . . . 0.0 111.194 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.983 -178.854 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.85 118.59 35.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 110.989 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.539 ' HD3' ' HZ2' ' B' ' 59' ' ' TRP . 0.0 OUTLIER -85.34 110.29 19.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.891 176.216 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.64 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 4.0 mtp-105 -93.3 169.7 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 9.0 tp -117.49 149.42 40.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.31 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 157.62 17.36 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.92 -31.87 72.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -51.35 62.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.45 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.445 ' HG2' ' HE1' ' B' ' 62' ' ' PHE . 7.9 mp0 -72.86 -26.95 61.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -65.93 -47.15 75.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.96 -31.57 66.42 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.56 -30.7 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.259 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.425 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -69.62 -46.79 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.036 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.06 0.36 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.915 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.59 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.509 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.81 37.46 3.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.33 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -132.24 133.14 43.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.628 0.251 . . . . 0.0 110.77 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.13 84.35 6.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.583 0.706 . . . . 0.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.48 142.48 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.695 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 159.56 52.87 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.57 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -66.09 -21.45 66.36 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.084 -0.558 . . . . 0.0 111.869 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -44.11 91.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.591 0.234 . . . . 0.0 110.612 176.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.21 -31.76 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.097 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' B' ' 51' ' ' VAL . 56.0 mt -71.94 -50.92 34.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' B' ' 31' ' ' LEU . . . -65.96 -23.86 66.68 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.679 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.6 -35.25 75.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.007 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.97 1.84 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.771 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.563 HG21 HG22 ' B' ' 55' ' ' VAL . 35.1 m -69.84 -34.11 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 20.4 mt -96.39 -59.28 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.246 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 6.4 t -66.18 -52.19 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.688 -175.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.583 ' HB3' ' HD2' ' B' ' 35' ' ' LYS . 1.1 t0 -82.61 -17.26 45.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.268 0.556 . . . . 0.0 110.346 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.64 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 74.78 44.61 24.69 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.775 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.583 ' HD2' ' HB3' ' B' ' 33' ' ' ASP . 2.0 mttt -92.61 146.27 32.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.75 149.55 89.51 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.703 2.269 . . . . 0.0 112.827 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -39.84 24.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.473 -170.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.94 90.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.849 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -36.03 78.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.239 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -40.94 98.51 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.91 -55.34 34.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.492 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -68.76 -32.22 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -73.17 -37.23 66.6 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -19.98 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.661 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.52 31.13 8.06 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.048 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.54 168.67 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 110.262 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.01 156.84 19.1 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.847 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.77 84.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.38 -32.12 71.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.992 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.6 64.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.993 0.396 . . . . 0.0 110.79 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.613 ' HA ' HD13 ' B' ' 26' ' ' ILE . 38.7 t -63.43 -47.85 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.033 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -68.24 -26.25 65.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -35.35 75.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.545 0.212 . . . . 0.0 110.684 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.21 81.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.563 HG22 HG21 ' B' ' 30' ' ' VAL . 27.9 t -59.71 -51.07 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.757 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -42.17 92.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.255 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' B' ' 57' ' ' ARG . 16.4 tpp180 -64.09 -50.12 69.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.6 t -71.32 -40.7 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.763 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.539 ' HZ2' ' HD3' ' B' ' 3' ' ' LYS . 25.4 t-105 -65.73 -35.4 80.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.5 84.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.972 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.09 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.474 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.445 ' HE1' ' HG2' ' B' ' 9' ' ' GLN . 30.0 t80 -62.91 -42.93 99.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.71 -40.55 72.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -40.54 76.97 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.553 -176.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -12.44 60.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 111.388 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 0.38 57.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.409 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.6 96.21 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 124.043 0.839 . . . . 0.0 110.493 -175.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.92 76.43 2.94 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.197 2.598 . . . . 0.0 112.829 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.26 95.4 10.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.66 61.76 0.3 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.48 159.63 29.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.775 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.64 146.2 29.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -127.74 115.58 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.086 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.4 m -85.93 143.84 10.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -129.98 124.97 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.239 -177.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.682 ' HB2' HG13 ' A' ' 86' ' ' VAL . . . -134.5 155.6 50.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.824 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG2' ' A' ' 90' ' ' GLU . 21.8 t -77.91 123.21 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 173.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.671 HD22 ' HG3' ' B' ' 82' ' ' GLN . 17.9 mt -158.96 152.33 18.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.26 170.84 15.06 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.26 1.973 . . . . 0.0 112.724 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLU . . . . . 0.488 ' H ' ' HG3' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -69.33 -19.79 63.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.314 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -47.27 80.13 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.245 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.671 ' HG3' HD22 ' B' ' 78' ' ' LEU . 37.0 mm-40 -73.3 -31.3 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.111 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.607 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -64.08 -25.37 68.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.006 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -55.53 -48.76 74.17 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.168 0.508 . . . . 0.0 110.565 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -25.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.806 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.8 t -62.28 -39.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.807 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -68.83 -29.44 67.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.834 0.35 . . . . 0.0 111.028 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -42.51 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.241 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -70.22 -32.97 71.08 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.614 ' HG2' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -57.31 -44.83 84.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.084 178.419 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.02 -32.9 45.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.438 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -33.85 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.11 79.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -16.79 60.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -8.98 58.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.448 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -25.93 65.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.621 0.248 . . . . 0.0 111.632 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.403 ' H ' ' HG3' ' B' ' 97' ' ' GLN . 1.2 mt-30 -85.34 -23.49 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.122 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.84 164.97 12.7 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.318 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.76 -26.51 9.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.404 177.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 58.66 61.27 2.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.194 0.934 . . . . 0.0 110.802 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 101' ' ' ARG . 10.3 mtt-85 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.08 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 119.822 -0.133 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 tttt 59.63 -138.03 0.72 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 123.522 0.514 . . . . 0.0 109.817 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -112.3 34.63 4.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -84.64 112.15 20.19 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.424 -178.403 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 12.9 tp -101.82 148.0 25.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.538 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.14 157.53 30.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.554 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -63.01 -39.12 93.81 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.776 -175.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -36.96 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -78.29 -28.89 47.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.13 -40.6 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.23 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.62 88.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.273 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.67 -32.86 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.101 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.96 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.939 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.0 -17.51 8.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.32 113.37 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.64 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.6 1.34 62.11 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.245 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.4 mm? -103.76 145.02 30.7 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.683 0.278 . . . . 0.0 110.671 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -82.75 84.03 7.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.68 0.753 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.44 135.39 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.391 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.23 161.75 53.23 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.965 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.49 -32.03 73.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.04 -37.53 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 m -59.42 -45.13 92.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.152 0.501 . . . . 0.0 110.729 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -32.59 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -38.82 76.65 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.603 0.24 . . . . 0.0 110.8 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG21 ' HA ' ' A' ' 51' ' ' VAL . 37.9 mt -70.02 -50.22 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -65.58 -19.92 66.11 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.952 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -64.53 -29.64 70.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.985 0.421 . . . . 0.0 111.315 178.008 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.55 -32.15 2.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.818 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -71.97 -44.29 66.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.811 0.339 . . . . 0.0 111.054 -177.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD12 ' HB1' ' A' ' 27' ' ' ALA . 26.3 mt -94.44 -51.88 4.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.221 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 30.3 t -63.87 -38.68 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -93.26 -10.65 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.791 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 69.78 37.7 76.05 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.215 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -84.54 159.64 58.07 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.269 -0.466 . . . . 0.0 111.671 -172.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.36 144.16 50.04 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.728 2.285 . . . . 0.0 111.292 170.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.91 -36.04 67.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.0 -172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.22 93.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -41.18 94.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.914 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -40.7 69.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.057 -176.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -65.2 -51.79 58.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.674 -177.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -74.19 -27.0 60.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -80.72 -37.7 30.12 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.564 -0.455 . . . . 0.0 112.146 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -19.03 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.535 0.207 . . . . 0.0 111.513 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.78 14.4 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.477 -175.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.54 162.82 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.25 154.74 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -68.09 -38.28 82.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.52 0.2 . . . . 0.0 110.663 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.84 -29.25 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.586 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.96 -37.02 59.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.761 0.28 . . . . 0.0 110.951 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.511 ' HA ' HG21 ' A' ' 26' ' ' ILE . 52.3 t -69.08 -41.36 81.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.074 0.464 . . . . 0.0 110.266 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 55' ' ' VAL . 19.3 m -71.87 -22.02 61.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.386 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.84 -39.76 72.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 0.0 110.291 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.72 90.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.932 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.535 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 2.6 p -68.44 -39.39 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -51.31 57.68 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.149 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 2.0 tpt180 -68.55 -48.13 65.07 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.27 -42.67 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 110.98 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.14 -44.91 87.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.252 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.41 72.58 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.327 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.65 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.258 0.348 . . . . 0.0 111.023 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -70.35 -44.66 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.93 -35.67 81.9 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -73.26 -32.37 64.66 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -60.08 -45.1 94.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -95.22 5.6 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.562 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -82.87 119.08 73.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.166 177.733 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 2.4 Cg_endo -81.65 74.97 5.09 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.276 2.651 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.14 142.93 35.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.423 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.53 -41.75 1.42 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.51 125.47 48.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.48 132.27 51.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.957 0.408 . . . . 0.0 111.01 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.583 ' HG2' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -83.48 103.58 12.94 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.5 m -92.21 148.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.303 -173.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.618 HG23 HG23 ' B' ' 75' ' ' THR . 0.2 OUTLIER -125.74 114.41 18.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.65 178.104 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -135.03 156.6 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.039 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.832 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 3.1 t -87.1 120.41 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -152.82 152.04 27.68 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.11 155.0 62.09 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 121.703 1.602 . . . . 0.0 111.168 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 1.4 tp10 -65.82 -19.2 65.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.082 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.14 -51.93 67.9 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 86' ' ' VAL . 20.6 mm-40 -73.03 -40.5 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.898 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -61.29 -22.71 65.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.809 -177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -52.27 -44.92 65.21 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.417 0.448 . . . . 0.0 110.737 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.64 -28.48 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 82' ' ' GLN . 29.9 t -68.11 -30.7 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -66.49 -31.5 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.649 0.261 . . . . 0.0 111.275 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.06 -37.5 64.23 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -67.7 -31.56 71.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.856 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 0.9 OUTLIER -64.26 -45.33 88.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.754 176.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.18 -30.37 68.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.991 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.39 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.823 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.57 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -69.91 -38.37 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.455 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 2.3 tptt -69.0 -33.44 73.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.874 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -24.79 67.71 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.888 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -23.18 64.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.737 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.77 11.44 20.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.14 178.12 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -177.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.87 115.99 7.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.948 0.404 . . . . 0.0 110.783 -177.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -86.75 117.82 25.75 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.643 -173.402 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.811 0.339 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.58 -179.84 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -88.01 56.27 3.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.69 0.757 . . . . 0.0 109.16 171.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -90.87 126.66 36.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.491 -173.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -110.31 169.54 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.81 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.89 160.48 14.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.767 ' HG2' HG11 ' B' ' 32' ' ' VAL . 2.6 mt-10 -66.27 -23.76 66.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.18 24.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 0.0 110.968 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -25.27 63.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.564 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.39 -50.89 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.46 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.33 75.6 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.511 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -35.65 76.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.165 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.55 -41.97 53.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.965 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 pt -76.66 -14.83 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.55 111.58 9.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.402 . . . . 0.0 110.237 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.06 -5.06 41.84 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.4 OUTLIER -101.78 138.91 38.14 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 18' ' ' GLU . 3.0 pt-20 -86.71 84.51 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.22 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.33 135.74 62.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.978 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.18 160.34 53.88 Favored Glycine 0 N--CA 1.439 -1.149 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.237 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.03 -33.25 67.01 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.255 0.622 . . . . 0.0 112.259 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -60.93 -50.85 71.73 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.304 0.377 . . . . 0.0 111.157 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.514 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -63.41 -36.81 84.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 111.448 -179.19 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.33 -34.99 65.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.683 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -36.62 69.65 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' B' ' 23' ' ' THR . 26.6 mt -65.29 -50.51 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.211 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' B' ' 31' ' ' LEU . . . -63.14 -25.28 68.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.869 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.669 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.6 mtp180 -65.81 -28.55 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.502 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.568 ' HA3' ' HE2' ' B' ' 40' ' ' PHE . . . -104.57 -42.59 1.83 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.089 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.24 -40.56 87.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 123.068 0.547 . . . . 0.0 111.073 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.774 HD21 HG23 ' B' ' 55' ' ' VAL . 42.1 mt -96.86 -54.96 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.339 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.767 HG11 ' HG2' ' B' ' 7' ' ' GLU . 56.7 t -68.83 -37.47 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.613 ' HB3' ' HG3' ' B' ' 35' ' ' LYS . 3.6 t0 -94.15 -9.89 34.97 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.691 -0.631 . . . . 0.0 110.553 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 72.65 30.96 63.3 Favored Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.265 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.613 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 16.9 mttm -86.57 154.2 56.18 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.627 -0.287 . . . . 0.0 110.982 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.63 152.77 70.04 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.834 2.356 . . . . 0.0 112.706 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.18 -36.48 77.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.489 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.03 85.69 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.266 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.31 90.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.753 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.568 ' HE2' ' HA3' ' B' ' 29' ' ' GLY . 0.2 OUTLIER -69.34 -33.27 72.86 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.671 -175.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -60.17 -47.29 86.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -28.73 60.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.158 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.0 m -69.54 -47.22 64.42 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -17.38 17.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.682 -176.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.74 35.21 9.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.276 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.42 169.98 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.68 159.17 18.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 169.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -63.8 -34.45 77.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.659 0.266 . . . . 0.0 111.28 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.62 -28.62 67.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.339 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.37 -37.3 66.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.059 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' B' ' 26' ' ' ILE . 58.6 t -67.59 -43.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.182 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -72.67 -20.15 61.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.514 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.1 -33.89 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.92 71.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.728 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.774 HG23 HD21 ' B' ' 31' ' ' LEU . 1.5 p -68.68 -37.17 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -37.4 87.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.744 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -56.23 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.851 -176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.27 -44.68 72.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.879 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.69 -43.87 83.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.375 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.32 72.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 111.492 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.18 80.71 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -60.65 -45.48 93.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.15 -43.07 99.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.275 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.516 ' HA ' ' HB2' ' B' ' 67' ' ' LEU . 3.3 t0 -72.01 -20.51 61.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.724 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.38 -25.94 62.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.402 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -115.89 12.68 15.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.498 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' B' ' 64' ' ' ASP . 0.8 OUTLIER -96.44 121.6 59.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 67' ' ' LEU . 8.0 Cg_exo -73.7 144.96 36.14 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.134 2.556 . . . . 0.0 112.881 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.79 165.39 19.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.008 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.28 -69.24 0.93 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.017 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -101.58 125.95 48.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.68 161.27 25.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.449 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.612 ' HD3' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -92.02 104.68 17.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 178.212 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.424 HG11 ' HB2' ' A' ' 83' ' ' ALA . 29.0 m -95.23 148.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.368 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' THR . . . . . 0.618 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.4 127.56 54.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.856 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -148.94 165.99 29.94 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.702 HG23 ' HG2' ' A' ' 90' ' ' GLU . 2.4 t -96.62 124.67 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 82' ' ' GLN . 0.1 OUTLIER -151.36 152.2 30.46 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -176.29 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.1 141.07 87.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.204 1.936 . . . . 0.0 111.531 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.52 -28.44 69.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.384 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -37.38 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 78' ' ' LEU . 0.5 OUTLIER -73.15 -38.21 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.319 175.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -62.27 -22.97 66.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.791 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -52.71 -45.41 66.91 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.559 0.537 . . . . 0.0 110.539 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.451 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -84.24 -31.62 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 -179.332 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 95.7 t -64.14 -34.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.917 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' B' ' 90' ' ' GLU . 8.4 tpt180 -60.47 -33.19 72.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.465 176.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -38.64 76.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 110.58 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -76.54 -30.06 56.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.34 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.832 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 31.7 tt0 -66.16 -48.38 70.94 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.349 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.9 66.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.58 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 -32.38 52.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.2 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -65.64 -40.18 92.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 110.344 176.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -77.59 -24.84 49.63 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 177.355 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' B' ' 98' ' ' GLU . 4.1 ttpt -73.86 -25.24 59.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.3 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -21.04 62.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.513 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.98 3.39 41.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.025 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.614 ' HB2' ' HA ' ' B' ' 95' ' ' LYS . 3.5 mt-10 -105.76 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.518 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.27 80.5 1.4 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 172.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -74.44 131.56 41.17 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.108 -170.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.519 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.08 72.16 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.283 0.563 . . . . 0.0 110.266 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 168.18 9.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.049 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -85.42 108.94 18.1 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.648 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD13 ' CH2' ' A' ' 59' ' ' TRP . 5.2 tp -89.31 169.46 11.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.572 -175.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -102.96 166.22 10.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.612 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -22.15 66.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.439 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.418 ' OG ' ' HB ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.89 -56.84 13.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.127 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -68.26 -32.65 72.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 87.6 t80 -60.35 -53.0 62.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.573 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -66.56 -30.36 70.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 -178.498 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 57.4 mt-10 -66.4 -38.3 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.95 -49.43 29.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.43 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -75.76 -22.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.5 tp60 -64.8 -34.2 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.892 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.3 15.89 62.38 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.833 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -128.31 162.89 26.0 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.092 0.472 . . . . 0.0 111.198 -177.134 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -113.82 92.55 4.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.206 174.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.14 147.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.53 157.14 45.08 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.455 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.62 -39.27 93.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.597 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -62.93 -44.03 97.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.799 0.333 . . . . 0.0 110.182 177.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -59.37 -39.05 82.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.781 177.506 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -69.17 -52.56 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.938 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 22' ' ' GLN . 3.5 pt-20 -61.03 -36.26 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.695 -174.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 85.7 mt -70.32 -48.32 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -60.52 -30.8 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.702 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.714 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 15.1 ttp85 -67.42 -29.38 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.7 -22.24 16.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.573 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 31' ' ' LEU . 2.2 t -84.93 -51.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.987 0.423 . . . . 0.0 111.069 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 55' ' ' VAL . 30.0 mt -92.6 -49.14 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.219 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 51.7 t -67.22 -29.89 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 111.32 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.61 -10.27 25.43 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.226 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 58.23 49.26 77.51 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.648 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -111.84 159.81 32.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.678 0.275 . . . . 0.0 111.468 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.59 133.19 41.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.895 2.396 . . . . 0.0 112.172 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.66 -30.9 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.033 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.44 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.242 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.336 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -41.45 95.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.008 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.21 73.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.113 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -32.3 73.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.948 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.3 m -78.63 -43.58 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.651 0.262 . . . . 0.0 111.343 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.401 HD23 HD22 ' A' ' 46' ' ' LEU . 3.4 mp -82.18 -22.96 35.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.709 0.29 . . . . 0.0 111.26 -176.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 15.26 71.28 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.408 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.433 HD21 ' HG2' ' A' ' 22' ' ' GLN . 3.6 mp -90.13 167.04 13.04 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.33 154.8 37.11 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -34.93 79.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.774 0.321 . . . . 0.0 110.584 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.253 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.45 72.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' HA ' HD13 ' A' ' 26' ' ' ILE . 76.2 t -66.57 -42.36 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 m -73.03 -20.78 60.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.74 -34.09 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.223 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.804 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -63.5 -49.21 74.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.132 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.649 ' HA ' HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.51 -38.49 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.475 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -41.15 96.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -75.98 -54.2 7.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.41 -46.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.729 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.563 ' HE3' HD13 ' A' ' 31' ' ' LEU . 18.6 t-105 -66.6 -37.71 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.02 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.07 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -63.11 -47.07 84.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.1 -42.83 95.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.117 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' OE2' ' HB2' ' A' ' 1' ' ' MET . 3.5 mm-40 -68.81 -46.48 68.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CG ' ' HE2' ' B' ' 81' ' ' HIS . 35.8 t70 -67.51 -28.11 67.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -68.17 -14.59 63.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.583 -179.54 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -73.93 -21.89 59.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt 55.06 69.76 1.89 Allowed Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.97 -161.06 0.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.324 2.683 . . . . 0.0 112.482 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 123.4 12.04 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.309 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' B' ' 79' ' ' PRO . . . -174.94 33.48 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.938 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.69 122.19 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 158.45 43.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.893 0.378 . . . . 0.0 111.179 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -74.99 105.91 6.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.705 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.64 138.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.637 HG23 HG23 ' B' ' 75' ' ' THR . 0.0 OUTLIER -113.39 129.17 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.944 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.61 ' HA ' ' HG3' ' B' ' 90' ' ' GLU . . . -152.05 151.15 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.005 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 ' HB3' ' B' ' 93' ' ' ALA . 4.0 p -86.83 136.8 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.55 153.34 21.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.469 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 29.5 Cg_endo -64.99 136.02 46.59 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.855 1.703 . . . . 0.0 110.793 171.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -55.27 -29.26 57.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.629 -176.702 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 13.9 m80 -61.9 -51.02 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.469 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 3.9 mp0 -72.85 -30.32 63.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -63.35 -23.71 67.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.276 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -57.54 -35.64 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.507 176.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 mt -75.96 -37.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.541 . . . . 0.0 109.827 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.21 -31.13 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.725 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -41.03 67.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 176.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -78.9 -30.77 45.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.708 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.2 -32.68 69.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.842 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 4.3 tt0 -60.53 -41.4 94.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.125 0.488 . . . . 0.0 110.141 175.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.93 60.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.798 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.65 -46.73 74.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.31 75.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -67.6 -43.18 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.327 0.584 . . . . 0.0 109.969 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -23.79 63.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.05 -29.14 68.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -77.85 -32.91 52.37 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.33 36.27 23.41 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.819 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.66 76.75 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -122.1 81.61 1.85 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.414 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.924 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.458 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -154.77 122.15 5.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.85 -179.25 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.641 0.258 . . . . 0.0 110.728 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.613 ' HG3' ' HA3' ' B' ' 34' ' ' GLY . 0.2 OUTLIER -87.16 146.03 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.88 177.428 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.0 tp -126.29 146.85 49.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.76 157.43 23.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.122 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.58 ' HG2' HG11 ' B' ' 32' ' ' VAL . 8.2 mt-10 -59.46 -34.64 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.28 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.81 -32.61 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.447 ' CE2' ' HG2' ' B' ' 28' ' ' ARG . 44.5 t80 -60.25 -54.27 47.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.816 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -69.14 -26.64 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -37.65 82.14 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.749 177.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.71 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.364 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -80.56 2.04 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.18 -37.83 81.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.665 0.269 . . . . 0.0 111.608 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.42 7.28 36.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.742 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 17' ' ' LEU . 1.8 mm? -103.86 150.29 24.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.425 . . . . 0.0 111.843 -175.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.26 84.68 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.611 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.67 132.31 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.826 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.29 170.98 47.06 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.041 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -55.95 -44.02 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.033 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.417 ' OE1' HD21 ' B' ' 46' ' ' LEU . 28.1 mm-40 -60.81 -44.31 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.208 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.715 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -56.24 -42.96 78.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.934 0.397 . . . . 0.0 110.904 178.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.31 -53.63 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.3 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 43.3 mt-10 -62.44 -38.52 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.759 -174.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.647 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 75.5 mt -65.88 -47.24 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.621 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.431 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.4 -25.1 67.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.565 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 1.1 tmm_? -61.7 -28.73 69.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.916 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -103.77 -37.34 3.0 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.464 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.508 HG11 ' HB ' ' B' ' 55' ' ' VAL . 2.6 t -69.7 -51.87 37.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.837 0.351 . . . . 0.0 111.351 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.541 HD21 HG23 ' B' ' 55' ' ' VAL . 20.1 mt -90.5 -44.25 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.704 -173.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.9 t -73.75 -41.53 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.9 t0 -83.57 -12.34 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.613 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 65.84 50.53 52.63 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.168 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.591 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -120.08 154.18 55.65 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.627 0.251 . . . . 0.0 111.586 -171.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.591 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 12.3 Cg_endo -57.78 149.16 70.67 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.966 2.444 . . . . 0.0 112.203 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -86.32 -25.06 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.376 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.22 81.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.286 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.41 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.346 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.647 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 1.5 t80 -64.34 -43.05 95.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.55 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.778 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -59.28 -38.63 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.858 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -70.14 -42.76 72.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -17.48 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.454 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.76 29.19 39.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.227 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.437 HD23 HD11 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -100.44 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.29 154.02 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.01 70.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.24 -42.3 99.74 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.702 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.05 82.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.915 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.462 ' HA ' HD13 ' B' ' 26' ' ' ILE . 53.9 t -62.85 -45.48 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -19.23 62.68 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.903 0.382 . . . . 0.0 111.26 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.07 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.863 0.363 . . . . 0.0 110.136 175.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.715 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -62.75 -48.78 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.502 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.541 HG23 HD21 ' B' ' 31' ' ' LEU . 0.9 OUTLIER -62.59 -42.37 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.319 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.45 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.371 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -49.4 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.33 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.94 -41.79 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.6 -39.56 93.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.82 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.4 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.013 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.73 -47.7 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.458 ' OE2' ' HB2' ' B' ' 1' ' ' MET . 2.3 tt0 -64.53 -28.84 69.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.823 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.14 -40.26 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.539 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -21.76 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.014 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.16 -13.37 58.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tp 58.95 89.75 0.1 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.093 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.01 158.13 58.76 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.599 2.199 . . . . 0.0 110.853 172.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 81.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.284 0.564 . . . . 0.0 111.003 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 79' ' ' PRO . . . -117.94 43.01 1.7 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.396 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -88.73 118.96 28.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.7 158.05 45.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 1.1 ttm-85 -75.3 105.87 6.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.816 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 m -103.19 137.31 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.283 0.564 . . . . 0.0 111.373 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' THR . . . . . 0.637 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -105.57 132.41 51.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.702 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.842 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -145.31 171.64 14.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.012 0.434 . . . . 0.0 111.076 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 t -110.97 126.77 68.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -151.24 155.43 34.68 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.518 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 39.4 Cg_exo -60.84 132.89 44.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.11 1.873 . . . . 0.0 111.253 174.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -18.88 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.514 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' HIS . . . . . 0.446 ' HE2' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.978 174.671 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -73.18 -27.03 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.5 47.48 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' B' ' 87' ' ' ARG . 43.2 t80 -58.04 -41.61 83.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.832 0.349 . . . . 0.0 110.315 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.91 -28.99 15.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.212 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.37 -38.56 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.268 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' B' ' 84' ' ' TYR . 0.0 OUTLIER -57.64 -40.3 78.95 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 110.36 175.399 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -40.53 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.353 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -66.03 -35.14 79.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.61 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -62.57 -46.08 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 110.515 177.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -31.61 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.207 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' B' ' 96' ' ' LYS . 18.0 t70 -71.04 -35.95 72.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.233 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.629 ' HB3' HG13 ' A' ' 77' ' ' VAL . . . -64.61 -36.77 85.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.013 0.435 . . . . 0.0 110.341 176.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -71.46 -36.05 71.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.077 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -77.1 -9.56 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.923 178.815 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' B' ' 92' ' ' ASP . 0.0 OUTLIER -78.63 -17.05 56.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -100.49 -48.81 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 95' ' ' LYS . 0.4 OUTLIER 52.86 47.82 23.83 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.694 175.363 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.14 30.24 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.529 0.681 . . . . 0.0 110.513 174.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -83.2 102.4 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.658 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ARG . . . . . 0.454 ' HE ' ' HB3' ' B' ' 101' ' ' ARG . 3.9 mtp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.406 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.001 0.429 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.46 34.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.448 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -81.74 84.89 6.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.379 0.609 . . . . 0.0 109.606 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -124.26 146.74 48.57 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.79 -176.012 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HG ' ' CZ3' ' A' ' 59' ' ' TRP . 6.9 mt -133.21 156.4 47.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.865 0.364 . . . . 0.0 111.254 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.31 155.91 17.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 166.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.04 -22.88 67.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.719 0.295 . . . . 0.0 111.617 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -46.89 77.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.178 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.54 -25.78 59.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.878 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 14' ' ' ILE . 44.3 t80 -67.57 -43.56 80.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.367 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -36.63 84.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.41 -37.04 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.061 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.95 -45.76 40.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.385 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 10' ' ' PHE . 19.0 pt -72.26 -39.23 63.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.57 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 1.6 mt-30 36.57 -109.18 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.422 1.089 . . . . 0.0 113.525 176.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -120.88 33.13 4.53 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.7 mm? -73.87 153.72 39.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.27 83.42 7.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.569 0.699 . . . . 0.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.99 137.57 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.506 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.51 144.56 35.85 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.399 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -61.41 -25.91 67.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.571 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.559 ' O ' HG12 ' A' ' 26' ' ' ILE . 4.0 tt0 -66.56 -47.65 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 174.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -67.49 -32.85 73.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 179.457 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 21' ' ' GLN . 90.7 mt -64.59 -41.75 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 110.262 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -33.58 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.193 176.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.615 ' HA ' ' HE2' ' A' ' 40' ' ' PHE . 27.8 mm -70.14 -46.72 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.96 70.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.715 176.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.67 -4.08 87.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.95 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG23 ' HG ' ' A' ' 31' ' ' LEU . 16.9 m -111.76 -49.0 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 117.795 0.797 . . . . 0.0 111.251 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 55' ' ' VAL . 13.1 mt -81.89 -59.27 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.499 0.19 . . . . 0.0 110.677 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -64.96 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.749 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.05 -34.71 64.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 98.05 51.02 1.53 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.594 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -143.24 159.96 53.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.921 0.361 . . . . 0.0 111.198 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.38 164.43 20.42 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.806 2.337 . . . . 0.0 112.692 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.635 ' HG2' HG21 ' A' ' 55' ' ' VAL . 22.2 mt-30 -74.26 -34.29 63.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.879 -174.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.65 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.104 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.22 90.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.465 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.615 ' HE2' ' HA ' ' A' ' 26' ' ' ILE . 1.8 t80 -67.91 -33.33 74.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -59.57 -42.36 92.28 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.92 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -28.76 67.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -73.45 -47.15 43.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.27 -20.86 19.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.677 0.275 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.49 31.74 7.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.783 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -95.23 167.62 11.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.715 0.293 . . . . 0.0 110.271 178.771 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.22 161.2 15.16 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -61.72 -39.91 93.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.75 93.59 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.072 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.78 -38.98 73.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 111.082 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 26' ' ' ILE . 90.5 t -69.31 -42.02 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.289 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 58.3 m -66.08 -22.95 66.43 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.847 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 10.1 tp-100 -64.76 -41.23 96.06 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -69.52 -43.68 72.56 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.054 178.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.658 HG13 HD21 ' A' ' 31' ' ' LEU . 59.3 t -61.02 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.302 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -62.75 -47.59 82.88 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.921 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HD3' ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -67.51 -43.11 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -174.516 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.5 t -76.59 -46.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.114 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CZ3' ' HG ' ' A' ' 5' ' ' LEU . 18.2 t-105 -65.42 -35.98 82.55 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.28 90.51 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.427 0.156 . . . . 0.0 111.328 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -28.57 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.21 -52.43 41.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.807 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.78 -27.85 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.334 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.04 -37.8 88.76 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.127 0.489 . . . . 0.0 110.388 174.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -81.17 -8.33 59.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.013 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -117.85 48.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.115 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.79 91.16 38.22 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -89.51 -8.59 4.45 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.36 2.707 . . . . 0.0 112.816 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -121.32 129.92 53.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.038 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.29 -21.22 59.04 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.324 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 118.6 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 110.832 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.82 158.99 25.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.571 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HB3' HG22 ' B' ' 75' ' ' THR . 4.8 mtt180 -95.78 116.32 28.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.041 0.448 . . . . 0.0 110.018 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.6 m -85.52 140.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.306 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.689 HG22 ' HB3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.93 125.82 32.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.351 -173.67 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -132.86 156.03 47.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.114 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' HB3' ' B' ' 93' ' ' ALA . 46.6 t -78.03 111.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD22 ' HG2' ' A' ' 82' ' ' GLN . 0.3 OUTLIER -155.53 150.78 21.1 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.288 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.493 ' HD2' HD23 ' A' ' 78' ' ' LEU . 40.7 Cg_endo -66.39 163.77 30.95 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.332 2.021 . . . . 0.0 113.465 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -69.91 -18.97 63.42 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.115 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -69.23 -34.8 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.643 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.701 ' HG2' HD22 ' A' ' 78' ' ' LEU . 26.6 tp60 -72.66 -31.5 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.06 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.45 -22.55 66.95 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.32 -47.23 72.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.189 0.519 . . . . 0.0 110.241 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.511 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -81.37 -32.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.545 -178.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.561 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 69.7 t -64.96 -33.29 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.814 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.55 91.43 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.889 176.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -28.0 56.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -74.39 -33.37 63.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.551 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 17.7 tt0 -72.57 -28.31 62.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.755 0.312 . . . . 0.0 110.528 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.99 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.274 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -27.04 36.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.871 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' B' ' 77' ' ' VAL . . . -69.32 -36.38 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.144 175.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -24.59 57.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -78.01 -9.66 59.23 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -33.47 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 109.799 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -40.69 11.44 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.44 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -104.99 80.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.936 0.874 . . . . 0.0 109.425 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -30.01 63.29 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.298 -1.319 . . . . 0.0 112.507 -173.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 58.3 77.16 0.3 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.898 0.749 . . . . 0.0 110.714 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 101' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.098 0 O-C-N 124.153 0.908 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.007 0.432 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 91.25 6.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.428 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -110.0 86.27 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.452 0.644 . . . . 0.0 109.778 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.545 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.1 OUTLIER -124.06 130.83 53.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.344 -177.113 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 7.2 mt -120.54 155.47 33.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.18 169.86 10.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.028 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -35.89 78.92 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -77.98 -27.53 49.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.924 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.07 -35.6 76.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.695 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.32 -33.38 74.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.776 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.9 -49.21 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.09 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.05 -42.37 52.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 CA-C-O 119.238 -0.41 . . . . 0.0 111.731 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.522 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.4 OUTLIER 45.25 -104.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . 0.522 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -126.33 26.33 5.26 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 17' ' ' LEU . 1.9 mm? -70.14 140.95 52.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.78 0.432 . . . . 0.0 110.903 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 84.27 7.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.887 0.851 . . . . 0.0 110.335 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.97 140.05 49.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.604 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.64 50.33 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.663 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.97 -29.8 69.87 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.525 0.33 . . . . 0.0 111.476 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.51 ' O ' HG12 ' B' ' 26' ' ' ILE . 1.2 tp-100 -64.19 -48.08 77.3 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 174.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.573 HG22 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.93 -33.32 75.74 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.425 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.83 -44.26 89.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.101 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -26.58 68.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.757 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.584 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 11.2 mm -68.0 -49.82 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -30.01 68.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.88 -33.93 75.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.518 ' O ' ' HE2' ' B' ' 35' ' ' LYS . . . -88.58 -4.81 75.9 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.688 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.677 HG23 ' HG ' ' B' ' 31' ' ' LEU . 15.5 m -112.02 -48.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 117.563 0.682 . . . . 0.0 111.086 174.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.677 ' HG ' HG23 ' B' ' 30' ' ' VAL . 10.0 mt -83.3 -58.38 2.86 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.319 -0.238 . . . . 0.0 110.928 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 8.3 t -66.03 -36.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.889 0.376 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.05 -37.3 58.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.313 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.545 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 96.29 51.08 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.42 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' B' ' 29' ' ' GLY . 0.0 OUTLIER -147.58 153.48 43.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.975 0.388 . . . . 0.0 110.844 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.63 166.88 14.52 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.89 2.393 . . . . 0.0 113.368 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' B' ' 55' ' ' VAL . 10.0 mt-30 -74.48 -31.49 62.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.071 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.75 90.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.794 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -43.12 99.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.584 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -71.16 -34.16 70.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.147 -178.109 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.72 84.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.004 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -34.48 62.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 m -70.62 -54.64 11.2 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.85 -7.16 54.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.09 41.06 8.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.986 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.75 165.14 11.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.592 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 51' ' ' VAL . 0.0 OUTLIER -88.25 157.08 18.88 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.421 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -41.58 90.37 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.23 -25.92 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 113.028 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -40.32 60.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 110.888 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 47' ' ' THR . 19.6 t -66.78 -46.22 86.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.026 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 45.8 m -66.03 -22.44 66.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -44.58 72.06 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.656 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.573 ' HB2' HG22 ' B' ' 23' ' ' THR . . . -68.87 -40.01 79.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.591 HG13 HD21 ' B' ' 31' ' ' LEU . 89.4 t -62.72 -45.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.35 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -64.58 -44.0 92.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.752 -178.035 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -65.77 -51.42 59.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 111.565 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.63 -46.0 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.095 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.518 ' HZ3' ' HG ' ' B' ' 5' ' ' LEU . 14.9 t-105 -67.1 -36.88 82.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.0 91.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.02 -28.03 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -75.9 -56.25 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.09 -47.26 52.69 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.57 -39.54 91.76 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.689 0.281 . . . . 0.0 111.32 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -73.59 -22.88 59.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.328 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.03 11.91 23.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.897 0.38 . . . . 0.0 111.044 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -110.42 103.38 53.98 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.004 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.24 -8.15 11.84 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.073 2.515 . . . . 0.0 112.719 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.24 140.51 30.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.985 0.422 . . . . 0.0 110.921 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.3 -12.17 34.28 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.952 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -92.9 118.38 31.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.144 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.5 19.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 -175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.689 ' HB3' HG22 ' A' ' 75' ' ' THR . 58.6 mtt-85 -100.75 119.89 39.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.391 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 30.3 m -84.79 141.05 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -126.43 135.56 51.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.844 -173.318 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.4 29.92 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.466 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.551 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -78.8 108.15 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.158 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 mt -149.1 152.64 36.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.95 170.04 19.84 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.57 2.18 . . . . 0.0 112.829 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.89 -22.81 63.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.237 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -62.34 -48.65 78.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.633 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -72.78 -29.37 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.859 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.563 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -66.4 -23.18 66.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.062 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -53.24 -48.05 68.52 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.498 0.499 . . . . 0.0 110.856 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.439 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -76.53 -27.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 -178.461 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.73 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.67 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -25.17 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.21 -34.61 32.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -77.53 -21.49 52.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.386 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 10.4 tt0 -59.2 -44.66 92.24 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.752 0.657 . . . . 0.0 110.778 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.74 62.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.699 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.4 -30.79 37.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.354 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 77' ' ' VAL . . . -79.38 -33.39 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.232 176.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -17.96 63.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.895 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' B' ' 95' ' ' LYS . 0.1 OUTLIER -73.14 -14.47 61.38 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.656 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -76.02 -25.4 55.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 110.815 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -97.49 -41.17 8.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.8 83.64 3.46 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.584 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -33.67 72.48 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.564 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm 62.69 88.6 0.09 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.992 0.808 . . . . 0.0 110.35 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' B' ' 101' ' ' ARG . 2.0 mmt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.632 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -123.25 157.97 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 159.81 30.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.765 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -96.73 168.73 10.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.561 176.3 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' HZ3' ' A' ' 59' ' ' TRP . 4.7 tp -111.05 160.82 16.5 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.806 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -99.92 167.13 10.71 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.81 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.98 75.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.443 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -77.01 -23.53 52.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.629 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.31 -40.68 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 110.25 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.61 -39.29 80.92 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.865 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -29.63 69.94 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.786 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . . . -75.66 -33.51 60.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.316 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 pt -106.1 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -48.04 70.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.93 -14.17 63.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.491 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.9 mm? -85.49 158.84 20.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.703 0.287 . . . . 0.0 110.569 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -109.26 91.62 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.0 109.706 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.13 142.5 37.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.26 143.49 44.56 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.342 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.57 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.58 0.352 . . . . 0.0 111.841 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -64.8 -50.87 65.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.492 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -66.32 -34.17 77.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.205 178.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.39 -35.46 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.854 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.41 -32.79 70.55 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.422 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 23' ' ' THR . 33.3 mt -71.83 -47.05 58.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.212 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' ' 30' ' ' VAL . . . -67.24 -19.87 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.712 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.67 -29.03 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 175.305 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.33 -45.29 1.72 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.829 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 27' ' ' ALA . 27.3 m -73.55 -24.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.24 0.52 . . . . 0.0 112.341 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD11 ' CE3' ' A' ' 59' ' ' TRP . 6.4 tp -107.43 -52.59 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 18.4 t -67.95 -50.09 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.78 -23.55 39.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 76.19 38.74 33.72 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.828 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -86.56 147.27 43.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.693 -0.253 . . . . 0.0 111.039 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.66 132.08 48.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.156 2.571 . . . . 0.0 112.936 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -73.47 -27.56 61.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.979 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HA ' ' HG3' ' A' ' 48' ' ' ARG . . . -65.36 -40.16 93.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -75.71 -39.06 58.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.762 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -33.33 75.39 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.222 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.673 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -61.45 -41.11 96.71 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.46 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -26.16 59.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.618 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -73.75 -44.26 56.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.693 0.282 . . . . 0.0 111.253 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -33.08 37.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.159 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.86 11.15 50.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.86 168.71 10.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 156.16 38.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -62.16 -37.97 87.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.005 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -25.62 72.98 Favored Glycine 0 C--N 1.335 0.482 0 O-C-N 123.62 0.575 . . . . 0.0 113.223 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.62 42.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.423 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 41' ' ' ALA . 54.9 t -72.4 -40.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.575 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.55 ' HA ' HG12 ' A' ' 55' ' ' VAL . 25.5 p -74.13 -17.49 60.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.29 -33.72 76.64 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.131 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -74.1 -45.1 51.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.821 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 52' ' ' SER . 8.1 p -66.0 -38.79 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -67.63 -41.57 83.7 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.521 177.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 1.4 tpt180 -62.2 -56.54 17.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -175.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.32 -40.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.011 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.492 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 44.1 t-105 -69.28 -31.51 70.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.36 92.48 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.648 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.21 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.42 -44.96 73.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.68 -27.84 64.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.92 0.39 . . . . 0.0 111.184 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -15.38 61.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 177.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.786 ' HE3' ' HA ' ' A' ' 13' ' ' ALA . 24.6 mttm -77.41 -23.38 50.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.28 22.98 14.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.365 0.602 . . . . 0.0 110.357 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -110.4 109.19 58.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.177 176.246 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.459 ' HB2' ' H ' ' A' ' 69' ' ' GLU . 2.3 Cg_endo -82.0 -112.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.495 2.797 . . . . 0.0 113.017 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' H ' ' HB2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -90.58 128.25 36.53 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -176.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.81 25.8 15.91 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.681 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.568 ' HE2' ' HD3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -110.91 134.1 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.589 -0.306 . . . . 0.0 110.323 -177.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.13 160.58 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.861 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -84.79 105.31 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.474 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.0 m -93.35 138.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.283 0.563 . . . . 0.0 110.748 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 132.32 53.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.6 171.3 14.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG22 ' HD2' ' B' ' 73' ' ' ARG . 6.6 t -109.16 125.67 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 77' ' ' VAL . 3.2 mt -156.85 152.18 21.84 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 123.491 0.495 . . . . 0.0 109.735 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HA ' ' HA ' ' B' ' 71' ' ' TYR . 37.4 Cg_exo -60.88 152.09 72.87 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.175 1.917 . . . . 0.0 111.53 173.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 3.0 mt-10 -72.29 -19.33 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.09 -37.03 84.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.848 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -73.3 -36.5 66.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.415 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.09 -22.58 66.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -52.5 -45.5 66.22 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.224 0.61 . . . . 0.0 110.353 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -33.84 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.575 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 92.9 t -66.41 -31.7 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.243 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 88' ' ' LYS . 25.0 mmmt -78.34 -34.17 48.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.128 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -69.88 -33.45 72.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.968 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -33.85 75.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.738 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.71 83.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.607 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -20.86 43.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.217 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -75.73 -27.22 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.335 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 98' ' ' GLU . 0.6 OUTLIER -71.77 -23.58 61.61 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.16 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.568 ' HD3' ' HE2' ' A' ' 71' ' ' TYR . 34.2 tttp -70.46 -25.15 63.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.272 0.558 . . . . 0.0 110.256 174.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.11 10.28 35.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.214 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.616 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -102.09 155.94 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.86 84.57 4.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -58.14 120.55 8.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.047 -173.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 101' ' ' ARG . 10.5 mmm-85 . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.421 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.667 0.27 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' B' ' 3' ' ' LYS . 0.1 OUTLIER -78.74 -96.74 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.952 174.257 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' B' ' 2' ' ' LYS . 0.2 OUTLIER -166.75 165.18 16.52 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.692 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.1 mtp-105 -96.95 174.23 6.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 168.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' B' ' 5' ' ' LEU . 6.2 tp -131.61 146.47 52.22 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.724 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 157.0 27.8 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.511 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.6 mt-10 -63.54 -23.24 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -49.46 68.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.746 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -77.82 -26.14 49.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 46.4 t80 -65.51 -47.72 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.208 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -70.03 -27.88 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.634 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -34.24 77.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.978 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.33 73.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.544 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pt -95.25 5.21 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.766 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.57 91.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.371 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.72 18.5 31.94 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -121.11 130.33 53.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.719 0.295 . . . . 0.0 110.464 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.493 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -92.0 84.61 5.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 110.206 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.79 152.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 141.86 43.92 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.247 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HA ' HD12 ' B' ' 24' ' ' ILE . 8.9 mm-40 -62.02 -25.59 67.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.854 0.462 . . . . 0.0 112.191 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -44.68 89.74 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.014 0.196 . . . . 0.0 110.667 177.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.585 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.81 -35.15 78.11 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.947 0.403 . . . . 0.0 111.038 177.14 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 21' ' ' GLN . 85.8 mt -65.38 -41.96 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.475 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -26.29 65.47 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.778 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' B' ' 23' ' ' THR . 46.1 mt -71.54 -46.36 63.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 109.739 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.58 -19.74 65.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.464 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.572 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.3 mtp180 -61.15 -28.62 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.823 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.18 -48.57 1.43 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.834 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 m -77.22 -22.3 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 117.536 0.668 . . . . 0.0 112.702 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' B' ' 59' ' ' TRP . 0.4 OUTLIER -106.4 -50.2 3.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.73 0.3 . . . . 0.0 111.066 -177.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 79.1 t -71.18 -53.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.946 0.403 . . . . 0.0 111.337 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -81.82 -16.98 49.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.692 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 70.13 42.04 68.43 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.84 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -85.74 146.84 44.67 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.18 . . . . 0.0 110.728 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.59 132.68 47.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.96 -25.09 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.539 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.92 77.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.474 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -37.08 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.453 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.404 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.8 OUTLIER -66.33 -38.94 88.83 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.625 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -64.02 -51.91 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.406 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -23.63 60.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.7 m -76.2 -36.31 58.69 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.402 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.76 -5.44 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.55 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 23.28 68.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.497 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.99 167.8 11.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.909 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.04 154.99 35.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -69.23 -39.02 78.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.341 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.52 -26.55 72.94 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.568 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.7 58.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.718 0.294 . . . . 0.0 111.352 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.625 HG21 ' HA ' ' B' ' 41' ' ' ALA . 41.1 t -69.29 -40.27 80.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.271 0.558 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.4 m -73.22 -19.62 61.05 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.563 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -33.54 69.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.587 0.232 . . . . 0.0 110.86 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -43.53 70.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.339 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.25 -35.0 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.29 66.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.487 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -52.08 48.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.49 -43.73 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 123.249 0.343 . . . . 0.0 111.196 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.435 ' HB2' HD11 ' B' ' 31' ' ' LEU . 42.8 t-105 -64.09 -45.37 89.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.517 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.18 79.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.585 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.81 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.199 0.312 . . . . 0.0 110.977 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -72.84 -43.34 62.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.069 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.61 -35.23 70.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.407 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -34.95 75.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 177.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -68.82 -35.16 76.64 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.523 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -29.79 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.2 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' B' ' 68' ' ' PRO . 0.0 OUTLIER -78.5 112.47 26.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.555 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 68' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 67' ' ' LEU . 3.8 Cg_exo -76.85 -76.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.896 2.397 . . . . 0.0 112.037 -177.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' HB2' ' B' ' 71' ' ' TYR . 2.5 tp10 -102.32 125.83 49.15 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.756 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.71 48.18 0.96 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 5.5 m-85 -116.21 152.05 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.226 -172.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.27 163.74 38.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.193 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.481 ' HD2' HG22 ' A' ' 77' ' ' VAL . 2.0 mmm180 -96.57 104.76 16.77 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 83' ' ' ALA . 34.5 m -96.1 134.59 33.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.438 0.637 . . . . 0.0 112.001 -169.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.66 114.49 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.157 177.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.58 146.01 50.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.972 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -78.1 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.214 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.82 148.66 17.32 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.579 0.228 . . . . 0.0 110.642 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' B' ' 82' ' ' GLN . 28.5 Cg_endo -65.57 147.2 86.24 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.004 1.803 . . . . 0.0 110.78 169.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -35.62 70.05 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -42.41 80.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.554 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . 1.1 mm-40 -72.7 -29.52 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.46 66.62 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.002 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -53.07 -42.72 66.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.094 0.474 . . . . 0.0 110.396 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.424 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.3 OUTLIER -80.47 -28.72 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.958 -178.331 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.17 -32.69 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.964 0.411 . . . . 0.0 110.192 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -33.97 77.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.74 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -28.42 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.57 ' HA ' ' HB2' ' B' ' 92' ' ' ASP . 12.4 m95 -81.59 -19.95 40.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.35 -42.94 95.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.645 0.736 . . . . 0.0 109.283 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.15 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.948 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.57 ' HB2' ' HA ' ' B' ' 89' ' ' TRP . 1.2 t0 -70.69 -37.77 73.63 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.435 ' HB1' ' HE2' ' B' ' 71' ' ' TYR . . . -65.49 -40.97 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 110.464 176.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -76.98 -16.36 59.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.296 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -70.21 -27.76 64.74 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.497 0.319 . . . . 0.0 110.938 178.43 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -20.58 61.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.616 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.06 -2.1 30.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.454 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 95' ' ' LYS . 0.0 OUTLIER -89.25 150.83 22.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -178.069 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.97 85.34 3.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.448 0.642 . . . . 0.0 110.668 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 144.17 31.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.416 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.348 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' HG3' ' OE1' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -86.31 111.22 20.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 110.702 -177.275 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -171.23 154.66 4.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.662 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -86.59 133.68 33.7 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 121.0 0.428 . . . . 0.0 110.864 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 tp -117.15 165.23 13.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.455 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.74 162.73 13.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.924 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HG3' HG11 ' A' ' 32' ' ' VAL . 4.3 mt-10 -67.07 -36.6 82.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 111.099 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.1 75.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.141 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -77.91 -31.43 51.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.471 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -66.01 -47.55 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.132 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -32.4 72.66 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.81 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.35 -39.45 93.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -72.5 -45.22 60.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.756 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.99 3.86 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -58.63 6.09 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.07 16.47 20.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.239 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.6 mm? -92.93 121.41 34.25 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.23 84.58 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.341 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.03 29.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.242 177.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 146.12 43.88 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.897 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.22 -18.14 65.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.58 -44.5 74.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.326 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.644 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -73.2 -35.2 66.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.5 -36.37 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.743 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -34.49 77.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 23' ' ' THR . 34.6 mt -67.02 -50.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -67.52 -37.88 83.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -95.01 -31.76 7.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.05 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.799 HG11 HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -76.51 -43.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -176.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 92.2 mt -94.67 -55.87 2.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.408 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.473 HG11 ' HG3' ' A' ' 7' ' ' GLU . 4.9 t -69.67 -46.07 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -173.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 28.2 t0 -79.8 -21.15 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 0.0 109.881 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 86.17 51.05 3.66 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.995 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -103.73 133.97 19.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 120.411 0.148 . . . . 0.0 110.721 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 5.7 Cg_exo -76.2 57.1 5.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.649 2.9 . . . . 0.0 114.771 -175.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' A' ' 2' ' ' LYS . 2.3 mp0 62.21 -83.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 168.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -27.58 69.4 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -169.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.81 82.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.092 0.472 . . . . 0.0 110.645 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 1.6 t80 -69.91 -32.74 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.57 73.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.399 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.62 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -68.81 -44.24 73.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -90.95 -15.08 30.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 30.38 25.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.824 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.7 mt -108.16 163.43 13.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.85 155.95 32.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.411 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -66.05 -37.37 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.24 -34.64 69.5 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.811 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.14 75.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.622 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.523 ' HA ' HD13 ' A' ' 26' ' ' ILE . 22.8 t -62.12 -49.55 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.906 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 m -66.58 -26.09 66.95 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.677 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -33.55 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.83 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.593 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.5 -42.33 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.799 HG22 HG11 ' A' ' 30' ' ' VAL . 2.0 t -60.79 -43.27 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -65.27 -45.08 85.96 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -52.73 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.52 -39.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 3' ' ' LYS . 17.6 t-105 -67.91 -38.43 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.598 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.04 89.62 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.708 0.289 . . . . 0.0 110.992 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -68.49 -37.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.688 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.42 -51.13 62.4 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.389 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -38.79 75.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.969 -174.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.33 -39.81 64.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -73.4 -10.5 59.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.529 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -83.86 -7.9 59.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.255 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.83 94.45 37.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -81.75 -16.46 9.0 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.281 2.654 . . . . 0.0 113.664 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -131.51 110.09 10.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.645 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -117.56 24.22 9.2 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.425 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -92.33 161.54 14.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.465 -0.367 . . . . 0.0 110.776 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.6 166.88 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.528 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 76' ' ' ALA . 40.1 ttp85 -101.52 115.93 31.62 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.456 HG12 ' HB2' ' B' ' 83' ' ' ALA . 35.5 m -90.13 106.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.373 1.082 . . . . 0.0 111.204 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -113.32 113.76 25.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.627 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.26 170.17 19.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.577 HG23 ' HG2' ' B' ' 90' ' ' GLU . 0.4 OUTLIER -91.11 136.2 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.773 176.669 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.543 ' HG ' ' HD2' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -157.1 147.55 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.847 -178.036 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.543 ' HD2' ' HG ' ' A' ' 78' ' ' LEU . 52.5 Cg_exo -55.74 132.97 55.27 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.267 1.978 . . . . 0.0 111.319 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -64.41 -22.83 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.21 -46.35 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.726 0.298 . . . . 0.0 110.68 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -71.94 -34.84 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.333 174.672 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB1' HG11 ' B' ' 74' ' ' VAL . . . -68.04 -22.68 64.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.278 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -53.42 -47.08 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.204 0.526 . . . . 0.0 110.302 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.814 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' GLN . 60.0 t -70.24 -31.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.281 177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -67.17 -27.67 67.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -33.07 35.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 109.924 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -70.9 -18.74 62.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.927 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' CG ' ' HA ' ' B' ' 76' ' ' ALA . 0.5 OUTLIER -62.84 -50.45 70.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.597 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.88 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.983 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 11.6 t0 -78.89 -40.72 31.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.675 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.52 -35.44 73.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.926 0.394 . . . . 0.0 110.672 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.0 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.548 175.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER -72.81 -23.1 60.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.287 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -76.46 -21.35 56.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 mt-30 -113.54 -2.38 13.87 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.649 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.6 42.02 24.73 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.8 0.84 . . . . 0.0 111.699 -175.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -93.61 54.55 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.353 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.8 139.0 17.44 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.691 172.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.798 -176.287 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.443 ' HG2' HG12 ' B' ' 55' ' ' VAL . 4.6 ttp . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.578 0.228 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 106.61 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.349 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.411 ' HB3' ' CH2' ' B' ' 59' ' ' TRP . 3.6 tttt -162.15 164.38 27.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.163 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 1.8 ttt180 -86.47 131.62 34.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.597 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -125.9 152.89 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.387 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 155.99 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.33 -22.86 67.09 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.35 86.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.717 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -78.34 -28.54 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.918 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -63.81 -47.14 82.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.73 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -35.02 79.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.272 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -65.19 -35.72 81.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.044 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.16 -41.53 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.209 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -90.99 -5.5 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -61.14 2.5 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.84 25.58 24.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.642 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.6 OUTLIER -113.13 126.51 55.53 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.899 0.381 . . . . 0.0 110.373 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.37 84.12 6.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.478 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.49 146.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.561 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 152.3 51.25 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.301 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.58 -17.39 64.8 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.6 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.672 0.272 . . . . 0.0 110.326 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.689 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.51 -40.71 96.14 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.257 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' B' ' 21' ' ' GLN . 30.8 mt -69.97 -34.45 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.768 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -38.19 65.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.568 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.543 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 60.6 mt -66.56 -50.11 69.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.23 -25.44 68.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.842 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -72.27 -38.07 68.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.04 178.332 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 -0.58 57.43 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.471 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.627 HG11 HG22 ' B' ' 55' ' ' VAL . 1.4 t -112.52 -48.64 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.828 HD21 HG13 ' B' ' 55' ' ' VAL . 63.1 mt -89.05 -52.67 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.079 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 23.8 t -67.51 -40.79 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.009 0.433 . . . . 0.0 111.331 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.43 -28.12 52.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.302 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.584 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 82.09 51.11 4.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.884 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 142.35 33.06 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.749 -0.225 . . . . 0.0 110.714 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.93 154.32 73.77 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.501 2.134 . . . . 0.0 112.366 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -29.75 69.12 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.204 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.46 92.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.209 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.01 -31.68 72.72 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.394 0.434 . . . . 0.0 111.694 -174.376 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.5 78.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.973 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -37.07 60.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.902 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -55.8 11.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 0.0 111.811 -176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -88.61 -10.5 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.125 -174.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 41.04 19.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.82 167.75 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.812 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.98 156.5 18.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.568 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -39.23 85.7 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.082 0.239 . . . . 0.0 111.609 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.39 -28.71 73.89 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.936 -0.574 . . . . 0.0 113.145 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.76 32.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.812 0.306 . . . . 0.0 111.167 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.45 ' O ' HG23 ' B' ' 55' ' ' VAL . 59.7 t -63.57 -49.5 82.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.366 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -71.67 -18.22 62.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.896 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -35.2 74.09 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.429 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.689 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -72.67 -38.34 67.63 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.828 HG13 HD21 ' B' ' 31' ' ' LEU . 21.2 t -60.59 -43.37 94.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.873 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.34 -51.15 62.51 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.576 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -49.52 74.09 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -170.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.06 -40.86 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.021 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.475 ' HE3' HD13 ' B' ' 31' ' ' LEU . 9.7 t-105 -68.97 -40.07 79.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.458 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.73 70.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.124 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -75.15 -33.07 61.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -31.01 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.98 -35.68 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -10.32 59.67 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.996 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -7.01 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.529 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.0 90.47 41.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.805 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.3 -38.16 2.17 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.935 2.423 . . . . 0.0 112.903 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.94 152.77 42.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.202 -176.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.64 29.43 0.44 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.128 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.18 152.76 29.31 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.92 13.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -89.71 105.91 18.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 170.161 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.653 HG11 ' HB1' ' A' ' 83' ' ' ALA . 4.5 m -88.2 140.63 15.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.568 -171.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -102.87 114.59 29.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.462 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.556 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . . . -128.75 169.01 15.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.485 ' H ' ' HG2' ' A' ' 90' ' ' GLU . 53.4 t -122.57 124.59 71.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.511 HD22 ' HG2' ' B' ' 82' ' ' GLN . 0.2 OUTLIER -158.94 155.52 24.69 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.005 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.45 ' HD2' HD23 ' B' ' 78' ' ' LEU . 51.3 Cg_exo -54.63 153.8 22.53 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.488 2.125 . . . . 0.0 112.653 177.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -18.46 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.385 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -62.54 -37.76 87.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.944 0.402 . . . . 0.0 110.539 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.511 ' HG2' HD22 ' B' ' 78' ' ' LEU . 19.7 tp60 -71.74 -39.93 69.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.6 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.41 -22.78 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.562 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.35 -49.56 64.08 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 123.469 0.48 . . . . 0.0 110.19 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.06 -32.66 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.348 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 93.5 t -64.92 -34.5 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 87' ' ' ARG . 4.8 ttm105 -67.43 -29.14 68.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -76.92 -30.43 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.274 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -79.37 -24.53 42.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.004 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.577 ' HG2' HG23 ' A' ' 77' ' ' VAL . 1.7 tt0 -64.75 -46.95 80.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.461 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.78 64.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.786 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -67.82 -49.87 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.736 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.6 67.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -34.99 78.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -14.11 55.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -22.02 44.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.071 0.462 . . . . 0.0 110.647 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -96.56 -44.38 7.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.571 174.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 57.94 42.08 23.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.383 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -6.59 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.226 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 144.12 27.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.913 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.901 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.416 0.627 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 36' ' ' PRO . 46.9 mttp -151.24 179.85 7.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.424 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.657 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 42.6 mmtm -83.93 75.42 10.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.467 0.651 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 5.0 ttm180 -86.2 133.92 33.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.027 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.707 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.1 tp -121.69 134.6 54.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.94 153.99 28.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.517 -177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -51.58 -46.49 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -67.22 -38.7 85.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.044 0.449 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CE1' HG11 ' A' ' 58' ' ' VAL . 83.6 t80 -57.92 -41.57 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.954 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -66.38 -42.53 87.79 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.15 -41.72 98.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.474 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -61.05 -49.57 76.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.927 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 pt -79.82 -26.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -59.09 -26.71 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.1 0.476 . . . . 0.0 111.946 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -93.75 3.77 71.44 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.004 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -121.14 158.24 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.312 0.577 . . . . 0.0 111.87 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 85.23 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.748 174.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.88 141.33 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.394 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.03 174.43 49.24 Favored Glycine 0 N--CA 1.438 -1.203 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.361 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.54 -36.93 81.96 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.067 -0.567 . . . . 0.0 111.968 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' HG13 ' A' ' 26' ' ' ILE . 37.2 mt-30 -58.8 -51.08 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 54' ' ' ALA . 42.1 m -59.2 -39.53 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.633 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.17 -51.04 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.83 -31.81 72.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.458 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 88.0 mt -66.59 -49.15 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.615 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.431 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.691 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 24.5 ttm-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.216 0.532 . . . . 0.0 110.151 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.98 -46.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.081 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 55' ' ' VAL . 2.6 t -61.97 -41.45 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 123.224 0.61 . . . . 0.0 111.825 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.615 HD12 ' HB1' ' A' ' 27' ' ' ALA . 73.4 mt -98.34 -54.25 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 41.7 t -67.33 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -172.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.23 -10.52 44.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.524 0.678 . . . . 0.0 109.949 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.474 ' N ' ' HG3' ' A' ' 4' ' ' ARG . . . 68.26 28.37 73.34 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.878 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.719 ' HD3' ' HD1' ' A' ' 40' ' ' PHE . 37.8 tttp -76.87 133.94 69.13 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 114.756 -0.722 . . . . 0.0 110.63 -172.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 75.8 Cg_exo -50.35 127.08 19.18 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 123.133 2.555 . . . . 0.0 112.419 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.1 -37.57 85.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.194 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.8 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.317 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 p -66.33 -24.55 66.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.718 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.719 ' HD1' ' HD3' ' A' ' 35' ' ' LYS . 12.9 t80 -70.99 -51.49 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -53.35 -49.71 66.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.348 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -61.94 -32.05 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.81 0.338 . . . . 0.0 111.491 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.449 ' HB3' HD22 ' A' ' 44' ' ' LEU . 20.6 t -79.37 -44.55 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 111.023 -176.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 43' ' ' SER . 3.0 mm? -94.01 -4.26 49.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.845 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.18 34.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.761 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 27.6 mt -96.39 163.73 12.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.452 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -89.28 156.51 18.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.637 ' H ' ' HD2' ' A' ' 48' ' ' ARG . 3.4 mpt_? -62.99 -39.05 93.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.11 0.481 . . . . 0.0 109.826 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.11 -40.65 98.29 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.77 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.48 93.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.882 0.341 . . . . 0.0 111.067 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' ' 41' ' ' ALA . 45.5 t -66.39 -45.51 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.345 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 55' ' ' VAL . 41.2 m -62.87 -30.05 71.22 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.762 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.7 tt0 -67.89 -46.78 70.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.767 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -64.5 -43.66 93.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.554 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.587 HG23 HD21 ' A' ' 31' ' ' LEU . 6.2 p -66.83 -45.17 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.238 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -66.56 -46.03 77.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -58.31 -57.86 11.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -173.434 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG11 ' CE1' ' A' ' 10' ' ' PHE . 77.0 t -64.63 -43.76 96.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -176.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CZ2' ' HD2' ' A' ' 3' ' ' LYS . 60.0 t-105 -64.5 -44.93 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.523 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -38.66 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.09 93.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.537 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.4 -47.87 83.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.181 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.73 -35.37 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.717 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.43 -41.55 84.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.67 -21.88 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -74.05 -27.38 60.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp 65.33 96.45 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.654 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.38 165.71 30.77 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.962 2.442 . . . . 0.0 111.457 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 69' ' ' GLU . 5.5 tp10 -103.13 112.59 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.035 0.445 . . . . 0.0 110.532 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -104.25 1.01 43.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.457 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -127.93 172.35 10.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.316 0.558 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.36 160.96 39.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.625 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -121.41 131.7 54.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.113 0.482 . . . . 0.0 110.0 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.631 HG12 ' HB2' ' B' ' 83' ' ' ALA . 33.4 m -97.66 148.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -135.94 133.17 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.766 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' HB2' ' CG1' ' B' ' 86' ' ' VAL . . . -148.87 153.94 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.342 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.648 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 50.3 t -79.31 122.32 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 171.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 mt -151.26 153.69 32.9 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.02 139.74 60.8 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.058 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.82 -29.97 65.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.192 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -71.56 -24.41 61.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.1 mm-40 -71.52 -27.95 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.278 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.588 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.19 -24.87 65.12 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.74 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -56.4 -47.2 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.507 0.67 . . . . 0.0 109.991 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' H ' HG13 ' A' ' 85' ' ' ILE . 2.4 mt -83.58 -28.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.938 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 72.0 t -61.92 -43.27 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.659 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 87' ' ' ARG . 38.3 ttp180 -63.18 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -62.33 -50.99 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.272 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -61.58 -39.56 91.62 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.738 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.777 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.1 tt0 -55.54 -48.06 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.256 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.82 44.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.76 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -70.67 -42.48 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.196 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.483 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.44 -43.11 91.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.386 . . . . 0.0 110.845 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -66.65 -23.41 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.114 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -73.3 -8.99 58.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -78.93 -18.35 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.436 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -91.17 -39.3 12.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.493 0.663 . . . . 0.0 109.786 175.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.82 -179.48 7.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.194 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 m -141.82 118.57 11.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.885 0.85 . . . . 0.0 112.271 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -98.14 161.19 13.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.194 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.995 176.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 mttp 59.28 -165.51 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.714 0.634 . . . . 0.0 111.006 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -121.83 104.29 9.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.942 0.401 . . . . 0.0 111.243 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.505 ' HG3' ' CA ' ' B' ' 34' ' ' GLY . 12.6 ttm180 -105.05 137.05 43.4 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.893 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 30.4 tp -128.61 156.04 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.25 154.12 19.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 31.7 tt0 -61.79 -19.72 62.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.673 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.8 p -68.25 -54.28 18.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.504 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -71.02 -28.63 64.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.13 0.491 . . . . 0.0 110.386 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 84.6 t80 -59.21 -41.25 88.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.264 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -71.71 -37.89 70.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.14 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.24 -39.4 90.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.967 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.12 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.044 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 45.1 pt -75.29 -16.49 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.86 -28.22 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 111.387 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . 0.422 ' C ' HD22 ' B' ' 17' ' ' LEU . . . -89.04 2.49 84.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.39 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.422 HD22 ' C ' ' B' ' 16' ' ' GLY . 3.6 mm? -123.39 144.73 49.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.636 0.255 . . . . 0.0 110.966 -177.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -92.79 82.76 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.252 1.025 . . . . 0.0 109.67 170.582 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.621 HG23 HD11 ' B' ' 24' ' ' ILE . 6.4 m -114.74 135.48 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.204 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 171.62 55.16 Favored Glycine 0 N--CA 1.433 -1.544 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.699 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.36 -27.04 67.08 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.859 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.1 -40.89 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.466 HG23 ' HA ' ' B' ' 54' ' ' ALA . 25.7 m -79.99 -38.34 32.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.323 0.582 . . . . 0.0 110.33 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.621 HD11 HG23 ' B' ' 19' ' ' VAL . 59.0 mt -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.862 -174.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.13 -34.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.604 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 57.5 mt -72.15 -49.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.58 -29.44 70.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.091 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.473 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 49.7 ttm-85 -59.83 -29.42 68.25 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.899 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.8 -46.97 0.99 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.984 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.14 -43.44 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 C-N-CA 123.007 0.523 . . . . 0.0 111.715 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.672 HD21 HG23 ' B' ' 55' ' ' VAL . 69.9 mt -92.91 -60.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.489 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 26.1 t -63.38 -43.66 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.876 -173.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.5 -7.87 49.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 109.93 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 63.48 28.02 71.77 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.044 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -75.53 139.18 70.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.565 -0.318 . . . . 0.0 111.42 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' OG1' ' B' ' 39' ' ' THR . 50.3 Cg_exo -53.84 129.92 36.56 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.35 2.7 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.49 -39.97 92.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.208 -170.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.82 94.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.953 0.406 . . . . 0.0 111.355 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 1.3 p -74.61 -23.08 58.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.279 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 10.0 t80 -71.08 -50.65 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.833 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -51.18 -54.08 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.52 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.033 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -80.82 -38.75 27.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -99.75 3.48 44.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.34 34.58 50.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.809 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.833 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 25.0 mt -95.35 164.08 12.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.988 0.423 . . . . 0.0 110.352 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.2 p -98.21 166.31 11.46 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.725 ' HD2' ' H ' ' B' ' 48' ' ' ARG . 1.1 mpt_? -67.71 -37.31 82.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.0 -43.28 82.67 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.4 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.17 -46.05 91.03 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.707 0.254 . . . . 0.0 111.126 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.723 HG21 ' HB2' ' B' ' 41' ' ' ALA . 95.4 t -60.62 -45.56 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 110.557 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.4 m -66.3 -33.59 76.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.981 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.21 -45.38 73.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.857 0.36 . . . . 0.0 110.637 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.466 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -63.95 -45.12 90.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.443 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.672 HG23 HD21 ' B' ' 31' ' ' LEU . 7.3 p -67.77 -38.54 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.43 -50.6 64.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.006 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.19 -51.86 61.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.766 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.07 -46.05 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.747 0.308 . . . . 0.0 111.254 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.893 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 61.5 t-105 -65.35 -38.4 89.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.245 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.24 75.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.86 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.064 0.459 . . . . 0.0 110.204 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.19 -44.17 76.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.917 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' B' ' 66' ' ' ASN . 11.9 tp10 -59.73 -42.72 93.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.328 -177.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.696 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -84.99 2.5 42.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.556 0.693 . . . . 0.0 110.473 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASN . . . . . 0.54 ' HB3' ' O ' ' B' ' 63' ' ' GLU . 9.7 t30 -84.18 -34.91 23.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.657 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp 54.77 74.08 0.79 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.648 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.92 146.66 53.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.781 2.32 . . . . 0.0 111.071 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.27 94.82 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.923 0.392 . . . . 0.0 110.056 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.52 11.53 67.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.447 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -141.64 166.82 23.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.933 0.366 . . . . 0.0 110.589 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.04 148.02 32.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 10.1 ptp180 -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.868 0.365 . . . . 0.0 110.258 177.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.7 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.176 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.4 m -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.716 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.508 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . . . -140.33 146.23 38.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.375 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.777 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 67.0 t -78.67 110.97 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.517 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -150.74 146.17 19.18 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.04 152.72 49.66 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 0.0 112.275 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.45 -27.43 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.124 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.18 -28.05 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.481 ' O ' HG23 ' B' ' 86' ' ' VAL . 84.4 mm-40 -72.1 -34.25 68.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.176 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.631 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -59.92 -23.38 63.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -176.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.46 -48.38 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.404 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.8 mt -84.61 -35.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.471 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 97.7 t -57.87 -42.58 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.87 -35.09 77.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.421 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -71.14 -43.68 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.644 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -65.68 -31.64 72.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 42.9 tt0 -60.53 -42.06 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.113 0.482 . . . . 0.0 110.129 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.0 -30.4 55.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.575 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.464 ' HA ' ' HE3' ' B' ' 95' ' ' LYS . 28.0 t70 -65.67 -37.58 86.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.03 96.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 110.742 177.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -75.98 -26.37 56.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.091 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' B' ' 92' ' ' ASP . 27.4 ttpp -74.02 -14.65 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.571 0.7 . . . . 0.0 110.007 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -81.23 -18.22 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.52 -48.36 6.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.348 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.43 98.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.12 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 3.8 m -74.59 84.94 2.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.709 0.766 . . . . 0.0 110.011 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 174.27 6.43 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.82 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.756 -179.515 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -96.18 127.0 41.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -98.37 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.53 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.795 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -108.99 166.52 10.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.171 0.51 . . . . 0.0 110.456 178.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 3.5 tp -121.35 145.68 47.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.096 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 8.3 mt-10 -64.14 -22.14 66.82 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -49.12 73.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -78.72 -23.89 45.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.748 179.291 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 65.0 t80 -63.14 -42.03 99.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.674 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -31.93 72.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.387 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.52 -38.63 90.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.698 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.65 77.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.578 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.45 2.83 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.32 -37.05 84.48 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.722 0.296 . . . . 0.0 110.945 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.22 26.57 19.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.195 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -133.91 140.98 47.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.406 -179.108 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.61 85.35 2.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 171.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.91 173.42 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.788 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 135.72 45.95 Favored Glycine 0 C--N 1.315 -0.595 0 CA-C-N 114.418 -1.264 . . . . 0.0 112.311 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -71.74 -18.14 62.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.295 . . . . 0.0 111.513 -176.421 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -43.95 93.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 176.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -65.56 -35.6 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 177.037 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 21' ' ' GLN . 70.4 mt -68.27 -36.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.329 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.2 -37.32 85.29 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.474 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.676 HG21 ' HA ' ' A' ' 51' ' ' VAL . 21.5 mt -71.6 -49.44 46.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -21.03 66.14 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.966 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.14 -29.01 69.81 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 177.069 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 -26.32 5.55 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.292 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -86.3 -40.71 14.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.877 0.37 . . . . 0.0 111.061 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.421 HD12 HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -94.68 -45.77 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.178 -177.102 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 55.2 t -74.35 -56.22 9.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 111.611 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -28.59 61.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.463 0.649 . . . . 0.0 109.741 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.795 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 77.55 43.57 15.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.146 -0.933 . . . . 0.0 112.022 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -90.1 144.42 31.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.189 . . . . 0.0 110.73 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 53.1 Cg_exo -55.79 130.77 42.16 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.126 2.55 . . . . 0.0 112.441 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.05 -30.85 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.098 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.37 66.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.007 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -68.27 -34.15 75.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.645 -178.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.54 -38.38 90.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 110.633 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.57 85.4 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.428 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -30.2 64.91 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 -41.73 34.42 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.663 0.245 . . . . 0.0 111.663 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HB3' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -91.88 -7.62 48.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.77 19.72 62.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.118 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -93.82 161.21 14.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -177.557 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -83.6 157.78 22.15 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -33.26 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.57 73.72 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.708 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.99 -40.46 27.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.676 ' HA ' HG21 ' A' ' 26' ' ' ILE . 97.5 t -68.87 -40.46 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.98 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.477 ' HA ' HG12 ' A' ' 55' ' ' VAL . 14.7 m -74.21 -19.82 60.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.229 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -69.93 -39.02 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.12 -45.96 79.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.722 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 11.0 p -67.15 -36.58 77.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.162 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -66.15 -44.41 84.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.755 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.36 -57.31 5.46 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -171.28 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.38 -37.38 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.32 . . . . 0.0 111.283 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -61.41 -44.35 97.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.949 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.62 70.63 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.16 95.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.388 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.05 -32.35 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.803 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -45.4 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.63 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 5.4 t70 -71.78 -28.78 63.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.643 0.259 . . . . 0.0 110.885 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 175.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -10.34 59.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.337 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.28 105.07 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 124.481 1.112 . . . . 0.0 112.103 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.63 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 1.2 Cg_endo -84.22 64.48 6.94 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.466 2.777 . . . . 0.0 110.846 175.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.81 136.05 41.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.343 -173.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' B' ' 79' ' ' PRO . . . -157.8 44.92 0.49 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.222 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -69.54 118.7 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.487 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.69 166.86 23.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.048 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 105.89 11.44 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.55 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.9 m -106.48 129.55 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.712 0.768 . . . . 0.0 112.106 -173.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -105.13 132.26 51.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.04 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.55 158.78 44.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 20.4 t -86.04 122.14 38.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.96 146.43 18.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' B' ' 93' ' ' ALA . 34.0 Cg_exo -60.95 148.78 91.61 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.637 2.224 . . . . 0.0 112.134 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -65.03 -32.54 74.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.527 -176.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.46 -41.39 98.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -73.53 -29.95 62.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -66.82 -21.55 66.03 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.666 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -52.29 -44.14 64.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.123 0.487 . . . . 0.0 110.49 173.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.428 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -80.36 -36.18 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.19 -37.83 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.378 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -30.84 71.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.856 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -26.99 49.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.419 177.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -79.46 -17.66 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.474 ' HG2' ' HB1' ' B' ' 76' ' ' ALA . 38.2 mt-10 -58.74 -40.99 85.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.179 0.514 . . . . 0.0 110.772 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -23.07 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.98 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -25.98 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.69 71.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.212 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -75.94 -19.26 58.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.815 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -71.07 -17.29 62.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.263 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.44 -30.31 64.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.171 0.51 . . . . 0.0 110.311 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -26.46 23.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.851 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . 1.7 mt-10 -74.28 169.87 16.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.0 110.42 14.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.185 -173.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.77 85.22 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.062 172.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.233 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 121.045 0.45 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -99.33 157.36 16.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.233 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -129.14 152.85 48.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.216 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.513 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 2.4 mtp180 -106.43 179.29 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 5' ' ' LEU . 6.2 tp -135.89 149.64 49.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.047 178.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.79 159.17 25.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.9 -38.39 72.75 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -40.2 83.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.135 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.04 -26.92 48.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.993 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.49 -45.04 89.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -69.83 -26.87 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.935 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -33.51 73.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.51 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.26 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.561 ' HA ' ' HB2' ' B' ' 17' ' ' LEU . 2.5 pt -84.29 6.62 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -47.8 -49.85 27.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.944 0.898 . . . . 0.0 112.723 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.43 19.9 23.72 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.191 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' B' ' 14' ' ' ILE . 0.3 OUTLIER -94.75 99.41 11.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.167 0.508 . . . . 0.0 111.184 -177.423 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.05 84.15 4.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.005 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 m -129.14 178.75 4.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.914 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 132.35 35.77 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.415 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.834 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.2 tt0 -67.61 -17.56 64.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -58.91 -43.04 91.0 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.849 0.295 . . . . 0.0 110.774 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.681 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.3 OUTLIER -60.55 -40.1 90.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.136 0.493 . . . . 0.0 111.129 175.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' B' ' 21' ' ' GLN . 17.5 mt -69.95 -34.25 59.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.294 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 80.9 mm-40 -60.09 -41.98 93.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.854 0.462 . . . . 0.0 110.683 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' B' ' 54' ' ' ALA . 13.7 mt -72.4 -49.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.612 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.33 -22.35 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.437 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 3.8 ttm105 -65.8 -29.1 69.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.263 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.2 -31.42 3.31 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.631 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.6 -44.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.006 0.432 . . . . 0.0 110.542 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.596 HD11 ' HE3' ' B' ' 59' ' ' TRP . 0.9 OUTLIER -91.87 -45.32 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 15.9 t -76.3 -53.41 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 19.6 t70 -74.28 -29.21 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.253 0.549 . . . . 0.0 109.962 -177.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 83.99 43.61 7.08 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.899 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.477 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -96.92 140.18 21.97 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.391 . . . . 0.0 110.775 -178.019 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.477 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 88.7 Cg_exo -50.35 141.47 32.09 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.134 2.556 . . . . 0.0 112.578 173.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -76.93 -34.57 57.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.504 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.17 68.35 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -39.37 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.269 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.52 -32.52 73.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.957 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.26 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.72 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -46.52 33.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -63.37 -51.11 67.25 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' B' ' 46' ' ' LEU . 7.8 mt -95.66 -8.04 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.289 . . . . 0.0 111.543 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.22 33.53 32.1 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.336 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -89.92 168.88 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.243 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.99 169.88 10.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -46.63 81.94 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 111.053 -177.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.97 74.83 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.696 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.91 71.52 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.629 0.252 . . . . 0.0 111.371 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.65 -41.09 87.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 10.2 m -68.28 -27.16 66.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.474 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.535 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 5.4 tp-100 -66.83 -37.78 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.629 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.681 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -67.84 -45.84 73.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.973 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.35 -38.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.375 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -68.23 -47.47 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 179.307 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.0 OUTLIER -69.78 -46.72 65.13 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -171.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.75 -40.06 85.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.372 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.596 ' HE3' HD11 ' B' ' 31' ' ' LEU . 56.5 t-105 -60.01 -47.82 84.26 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.055 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -30.99 71.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.888 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.34 83.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.968 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -75.61 -36.63 60.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.961 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.5 -37.65 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.517 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.55 -30.04 67.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 110.986 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.43 61.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.966 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.89 -13.03 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt 58.74 83.61 0.21 Allowed Pre-proline 0 N--CA 1.467 0.4 0 O-C-N 124.008 0.817 . . . . 0.0 111.166 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.97 127.96 21.75 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.898 2.399 . . . . 0.0 112.157 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.96 75.51 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.232 0.539 . . . . 0.0 110.885 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.47 64.76 2.85 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.747 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.43 118.48 31.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.996 0.427 . . . . 0.0 111.175 -175.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.0 141.57 18.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.12 104.45 16.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.426 HG11 ' HB2' ' A' ' 83' ' ' ALA . 27.1 m -104.11 116.74 48.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.314 -174.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -99.5 114.29 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.34 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.474 ' HB1' ' HG2' ' A' ' 90' ' ' GLU . . . -131.71 153.69 49.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.97 113.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 151.21 34.2 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.628 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 38.2 Cg_exo -61.62 150.45 85.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.793 2.328 . . . . 0.0 113.12 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.87 69.58 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.899 -176.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -69.87 -39.2 76.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.893 0.377 . . . . 0.0 110.612 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -72.7 -26.83 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.908 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.55 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -62.89 -22.56 66.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.475 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.38 -46.96 69.84 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.423 0.63 . . . . 0.0 110.435 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.409 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.2 OUTLIER -79.95 -25.66 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.067 -177.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 45.9 t -69.61 -31.14 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -28.86 66.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -76.51 -33.82 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.038 0.447 . . . . 0.0 110.481 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -73.14 -26.72 61.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.128 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 3.5 tt0 -63.03 -35.35 79.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.961 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.65 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.492 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' B' ' 95' ' ' LYS . 0.3 OUTLIER -80.21 -31.48 38.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . . . -73.85 -28.84 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.125 173.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.28 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' B' ' 92' ' ' ASP . 33.2 mtpt -69.04 -9.37 52.17 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.525 -178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -76.92 -13.52 59.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.744 0.306 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -95.2 -33.92 12.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.13 0.491 . . . . 0.0 110.109 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.49 138.43 31.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.149 -174.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 77.3 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.29 106.48 3.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.075 -172.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 . . . . . 0 C--O 1.243 0.751 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.121 175.656 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.25 0.548 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -137.91 130.56 29.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.276 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.15 139.21 56.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.016 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.632 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 2.9 mpt_? -94.31 146.8 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.353 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.6 tp -112.14 159.39 18.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.143 -176.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.2 151.64 22.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 42.9 mt-10 -68.57 -21.27 64.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.917 -172.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -63.56 -55.33 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -70.54 -23.88 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 24' ' ' ILE . 77.0 t80 -64.2 -45.95 86.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.577 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.47 -32.44 72.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.637 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 37.2 mt-10 -72.11 -43.93 63.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.02 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -61.26 -30.32 70.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.253 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 10' ' ' PHE . 41.5 pt -96.14 -11.91 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -42.49 -60.03 1.66 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.62 18.46 32.25 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.508 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -102.77 148.33 25.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 111.332 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.76 84.84 7.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.59 128.61 60.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.159 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.3 172.49 49.13 Favored Glycine 0 N--CA 1.433 -1.552 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.052 175.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -53.97 -37.32 63.84 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 123.756 0.327 . . . . 0.0 111.347 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 26' ' ' ILE . 95.6 mt-30 -59.23 -51.74 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.933 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' ' 54' ' ' ALA . 25.5 m -61.78 -38.6 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.409 0.623 . . . . 0.0 110.291 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 10' ' ' PHE . 75.6 mt -69.02 -46.97 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.843 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.74 -31.22 67.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.416 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 22' ' ' GLN . 89.2 mt -69.5 -46.13 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HA ' HG22 ' A' ' 30' ' ' VAL . . . -64.62 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.676 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 54.6 ttt180 -58.31 -28.89 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.292 0.568 . . . . 0.0 110.007 176.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.637 ' HA3' ' HZ ' ' A' ' 40' ' ' PHE . . . -93.69 -60.39 1.15 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.556 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 33.9 m -63.54 -29.38 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 117.302 0.551 . . . . 0.0 112.234 -174.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.721 HD21 HG23 ' A' ' 55' ' ' VAL . 91.9 mt -102.82 -61.38 1.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.237 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.676 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.5 t -63.66 -43.48 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.031 0.443 . . . . 0.0 111.3 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 23.2 t70 -86.53 -18.41 31.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.514 0.673 . . . . 0.0 109.777 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 68.72 29.8 72.73 Favored Glycine 0 CA--C 1.504 -0.606 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.013 -174.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 30' ' ' VAL . 21.6 ttmm -82.4 136.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.697 -0.751 . . . . 0.0 111.175 -170.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 64.6 Cg_exo -52.91 131.0 40.3 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.212 2.608 . . . . 0.0 112.637 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.502 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -56.56 -33.66 66.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.865 -174.544 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.43 -26.72 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.722 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.2 m -62.93 -47.47 83.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.637 ' HZ ' ' HA3' ' A' ' 29' ' ' GLY . 80.3 m-85 -70.68 -35.28 72.72 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.547 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.42 83.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.553 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.5 m -75.18 -50.89 14.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -73.77 -43.74 58.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -171.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 40' ' ' PHE . 7.2 mp -91.04 -4.23 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -177.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.5 29.23 68.25 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.792 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.48 157.64 19.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.931 0.396 . . . . 0.0 110.419 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 p -81.04 155.73 26.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.757 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -66.61 -27.07 67.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.797 -174.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.54 -30.3 53.65 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.545 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.87 -42.86 48.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.16 -39.22 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.274 0.559 . . . . 0.0 110.275 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 p -77.86 -19.76 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.411 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.42 -45.95 81.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.074 0.464 . . . . 0.0 110.178 176.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.608 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -62.49 -42.71 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.05 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.721 HG23 HD21 ' A' ' 31' ' ' LEU . 6.8 p -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.795 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -66.68 -45.81 77.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG2' HG21 ' A' ' 23' ' ' THR . 22.8 tpt180 -56.86 -53.07 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.961 -175.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.5 t -78.41 -43.12 26.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 68.0 t-105 -65.02 -41.69 95.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.241 -175.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.24 89.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.66 90.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.715 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.99 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.825 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.91 -39.37 89.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.399 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.91 -22.25 63.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.651 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.637 ' HE2' ' HB3' ' A' ' 12' ' ' GLU . 26.3 mtpp -85.31 0.4 52.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -85.85 -10.97 54.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.038 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 47.7 tp -101.25 106.76 47.12 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.293 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 6.7 Cg_endo -88.02 96.56 0.41 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.37 2.714 . . . . 0.0 112.318 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -67.76 124.36 23.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.989 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.98 46.58 2.96 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.37 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -140.12 117.63 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.2 138.21 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.034 0.445 . . . . 0.0 111.641 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.9 119.51 39.65 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' B' ' 78' ' ' LEU . 35.9 m -85.15 144.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.245 0.545 . . . . 0.0 110.936 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -135.25 118.71 16.84 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.183 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' B' ' 73' ' ' ARG . . . -139.95 172.93 12.06 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.611 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 70.4 t -77.1 108.25 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD23 ' HB2' ' B' ' 93' ' ' ALA . 54.6 mt -151.44 88.63 4.3 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.579 -175.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.75 176.63 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.275 1.984 . . . . 0.0 112.548 -177.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.35 45.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.715 -165.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -64.31 -43.58 94.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.038 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.425 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.1 mm100 -71.57 -40.96 69.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.194 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -59.75 -24.09 63.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.518 -175.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -52.76 -50.02 64.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -79.99 -32.57 14.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.009 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 91.4 t -58.71 -45.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.934 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -62.41 -33.95 75.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.246 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -76.54 -29.48 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -78.92 -17.88 54.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.378 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.841 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 36.0 tt0 -55.89 -43.85 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 111.157 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.36 55.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.47 -39.92 77.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.73 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.88 -40.86 92.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.917 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.9 -34.5 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.201 0.524 . . . . 0.0 110.284 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 95' ' ' LYS . 1.3 tmmt? -68.78 -22.86 64.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.639 177.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -79.65 -26.75 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -77.68 -32.09 52.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.747 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -84.69 113.24 21.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.1 80.24 9.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.202 -176.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -111.37 -174.27 2.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.352 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.941 174.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 mtm . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.073 0.464 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -131.11 135.06 47.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.52 ' HD2' ' HZ2' ' B' ' 59' ' ' TRP . 38.6 ttmt -73.81 127.3 32.46 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.576 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 10.7 mtt180 -98.25 159.89 14.65 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.069 0.461 . . . . 0.0 110.88 -168.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 26.2 tp -125.01 153.8 42.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.514 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.03 151.75 20.0 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.01 -0.431 . . . . 0.0 110.153 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 11' ' ' GLN . 45.1 mt-10 -66.83 -21.46 66.03 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -68.32 -46.99 68.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.373 0.606 . . . . 0.0 109.996 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -78.04 -22.87 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.588 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.36 -38.85 91.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.132 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 82.3 mm-40 -66.58 -34.97 79.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.615 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 51.1 mt-10 -69.58 -41.37 75.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.587 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.17 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.515 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 pt -78.05 -44.37 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' B' ' 12' ' ' GLU . 19.4 tm0? 44.2 -83.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.738 1.215 . . . . 0.0 113.231 174.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.21 32.75 1.14 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.4 154.62 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.97 82.51 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.29 141.81 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.049 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.78 156.83 40.94 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.022 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.3 -29.19 67.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.381 -0.409 . . . . 0.0 111.657 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.416 ' O ' HG13 ' B' ' 26' ' ' ILE . 90.4 mt-30 -62.2 -40.0 94.61 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.344 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.499 HG23 ' HA ' ' B' ' 54' ' ' ALA . 26.2 m -64.82 -40.99 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.442 0.639 . . . . 0.0 110.095 175.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.01 -41.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.246 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -63.98 -36.6 84.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' B' ' 51' ' ' VAL . 85.8 mt -69.15 -44.95 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.543 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.66 -28.58 70.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.293 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.724 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 60.0 ttt180 -60.04 -27.3 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.6 ' HA3' ' CZ ' ' B' ' 40' ' ' PHE . . . -99.37 -55.78 1.02 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.197 -1.002 . . . . 0.0 112.391 177.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.551 HG21 ' HB ' ' B' ' 55' ' ' VAL . 33.9 m -65.72 -28.08 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.543 HD12 ' HB1' ' B' ' 27' ' ' ALA . 72.4 mt -101.88 -57.76 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.32 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.724 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 82.8 t -58.54 -42.64 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.188 0.518 . . . . 0.0 111.429 -177.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 23.4 t70 -98.39 -13.92 20.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.112 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.576 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 69.36 31.92 71.66 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 19.1 ttmm -81.94 138.16 46.5 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.061 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 31.8 Cg_exo -59.76 140.73 94.77 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.898 2.399 . . . . 0.0 111.744 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.574 ' HB3' HG11 ' B' ' 51' ' ' VAL . 0.2 OUTLIER -62.76 -22.31 66.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.35 -172.02 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -35.78 66.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.914 -175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -62.33 -52.22 64.52 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.918 0.389 . . . . 0.0 111.399 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' HA3' ' B' ' 29' ' ' GLY . 87.9 m-85 -73.09 -43.14 62.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.741 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -64.48 -56.65 12.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.581 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.7 m -71.36 -34.0 70.07 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.7 t -81.6 -49.92 9.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.63 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.36 -2.31 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 28.79 45.39 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.642 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 82.0 mt -98.71 154.91 17.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.045 0.45 . . . . 0.0 109.788 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -95.07 156.56 16.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -51.01 -48.24 61.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.169 0.293 . . . . 0.0 111.272 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.16 -28.22 73.29 Favored Glycine 0 N--CA 1.452 -0.259 0 O-C-N 123.583 0.552 . . . . 0.0 113.133 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.58 -39.19 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.154 0.502 . . . . 0.0 110.138 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.8 t -72.01 -41.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.04 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.549 ' HA ' HG12 ' B' ' 55' ' ' VAL . 33.8 p -69.27 -28.26 66.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.13 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.32 -42.73 99.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.101 0.476 . . . . 0.0 110.221 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.499 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -67.43 -45.13 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.463 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.551 ' HB ' HG21 ' B' ' 30' ' ' VAL . 7.4 p -64.55 -40.95 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.37 -51.0 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -63.02 -46.85 85.66 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 -44.05 81.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.031 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.52 ' HZ2' ' HD2' ' B' ' 3' ' ' LYS . 69.3 t-105 -64.77 -40.54 95.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.005 0.431 . . . . 0.0 110.527 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.67 96.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.571 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.21 76.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.22 -55.7 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.431 ' HA ' ' OD1' ' B' ' 66' ' ' ASN . 26.9 mt-10 -71.5 -28.83 64.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 111.248 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.96 -36.18 80.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -87.88 3.06 49.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.482 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASN . . . . . 0.431 ' OD1' ' HA ' ' B' ' 63' ' ' GLU . 12.8 m120 -88.92 14.61 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 110.331 176.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.3 tp -113.03 87.01 9.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.26 123.71 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.226 2.617 . . . . 0.0 112.657 -173.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.21 136.96 33.3 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.9 33.77 2.84 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.105 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -140.19 118.49 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.8 152.94 20.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -113.37 106.14 14.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 176.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.704 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.3 m -88.67 148.14 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.026 0.441 . . . . 0.0 110.806 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.1 m -111.73 131.31 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.936 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.25 158.7 43.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.877 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.841 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 59.2 t -78.96 113.74 18.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.73 HD23 ' HB2' ' A' ' 93' ' ' ALA . 63.7 mt -151.03 143.91 16.67 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.758 0.661 . . . . 0.0 109.487 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.0 Cg_exo -63.87 147.86 92.02 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.235 2.623 . . . . 0.0 112.624 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.04 69.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.419 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.76 -39.27 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.418 . . . . 0.0 110.181 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.51 -26.87 61.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.47 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.64 63.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.119 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -53.14 -49.06 67.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.41 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.7 mt -76.23 -29.66 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.931 -176.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -36.05 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.447 176.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -66.38 -31.12 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.983 0.421 . . . . 0.0 110.55 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -75.89 -31.69 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.313 0.578 . . . . 0.0 109.858 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.513 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 15.5 m95 -73.39 -18.73 61.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.009 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.611 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 1.1 tm-20 -57.43 -49.3 76.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.342 0.592 . . . . 0.0 109.942 177.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -24.49 44.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.352 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 15.3 t70 -71.36 -39.57 71.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.9 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.773 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -57.85 -42.54 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.014 0.435 . . . . 0.0 110.604 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -71.65 -36.48 70.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' B' ' 95' ' ' LYS . 0.2 OUTLIER -62.9 -37.9 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.273 -178.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.28 -27.32 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.656 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -94.37 1.52 55.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.49 126.57 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 109.923 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 p -81.99 84.49 6.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.438 ' HE3' ' HB2' ' B' ' 100' ' ' LYS . 19.2 ptmt -129.26 -179.1 4.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.746 170.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.41 178.743 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -86.54 85.33 7.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.367 0.603 . . . . 0.0 110.345 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -131.57 144.43 51.08 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.521 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.596 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -116.83 146.04 43.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.343 0.592 . . . . 0.0 110.832 178.107 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 6.6 tp -91.02 174.76 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.809 -168.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -102.29 167.99 9.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 -38.02 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.152 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -59.95 -47.24 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.921 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.52 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 96.4 mt-30 -76.84 -25.31 53.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 0.0 110.701 -178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.64 -42.45 98.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.645 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -62.97 -30.44 71.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.057 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.85 -36.84 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -74.7 -49.78 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.771 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.6 pt -77.42 -12.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -174.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -47.53 -55.17 9.73 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.6 8.56 68.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.012 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.1 mm? -111.51 133.25 53.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.909 0.385 . . . . 0.0 111.635 -175.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -87.36 84.54 7.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.438 0.637 . . . . 0.0 109.775 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 m -116.9 138.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.008 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.5 145.7 49.68 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.96 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.9 -25.74 44.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.28 0.232 . . . . 0.0 111.212 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' ILE . 33.9 tt0 -59.06 -51.68 69.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -69.39 -31.44 69.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.52 -45.71 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.4 -32.0 70.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 22' ' ' GLN . 74.1 mt -70.03 -50.12 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.276 0.56 . . . . 0.0 109.601 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -63.88 -27.32 69.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.421 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.678 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 71.8 ttt180 -64.01 -28.17 69.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 0.0 110.821 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -105.88 -38.06 2.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.963 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.65 -37.35 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-O 121.172 0.51 . . . . 0.0 111.309 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 10.3 tt -103.45 -33.78 8.95 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.443 -173.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.678 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 88.7 t -89.21 -56.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.605 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.6 t70 -70.98 -35.9 72.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 0.0 109.338 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.596 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 99.63 22.19 12.99 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.676 173.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 58.8 mttp -74.54 139.06 74.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 32.5 Cg_exo -58.5 127.02 23.09 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.19 2.594 . . . . 0.0 112.8 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 25.4 mp0 -50.15 -54.3 21.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.66 -168.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.46 70.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.789 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -66.22 -43.96 85.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 110.268 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.11 -44.39 88.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.865 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.575 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -57.43 -56.03 27.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.5 m -64.43 -28.97 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.662 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.6 m -74.0 -46.78 41.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.79 -7.05 53.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.1 22.9 43.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.115 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.09 156.6 16.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -79.86 155.32 27.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -66.62 -27.45 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.93 -45.13 86.28 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.022 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.06 83.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 41' ' ' ALA . 71.0 t -64.9 -45.06 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.424 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' HG12 ' A' ' 55' ' ' VAL . 62.7 p -69.62 -32.65 71.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.652 0.263 . . . . 0.0 110.678 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -61.15 -45.21 95.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.147 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.703 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.522 HG12 ' HA ' ' A' ' 52' ' ' SER . 14.3 p -69.12 -37.76 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.612 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -65.83 -50.21 65.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 111.054 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 26.7 tpt180 -61.46 -55.25 33.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.233 -175.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' HB ' HD13 ' A' ' 31' ' ' LEU . 97.7 t -62.93 -47.0 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -176.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -61.51 -48.17 82.25 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.866 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.28 72.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.044 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.35 87.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 110.773 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 60.1 t80 -67.13 -45.25 77.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.721 177.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.3 -39.81 91.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -77.42 2.75 15.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.795 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.54 -1.5 43.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.433 . . . . 0.0 110.079 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp 67.32 89.07 0.1 Allowed Pre-proline 0 N--CA 1.465 0.28 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.466 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.6 64.26 8.83 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.085 2.524 . . . . 0.0 111.844 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.537 ' HG2' ' HD1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -122.74 135.25 54.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.173 -177.793 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.3 43.1 1.04 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.0 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.537 ' HD1' ' HG2' ' A' ' 69' ' ' GLU . 40.3 m-85 -84.86 143.97 28.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.011 0.434 . . . . 0.0 110.761 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.76 151.83 37.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.379 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -119.92 129.77 54.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.028 0.442 . . . . 0.0 110.041 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' B' ' 78' ' ' LEU . 15.9 m -88.02 128.27 40.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.167 0.508 . . . . 0.0 110.556 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -120.97 113.89 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.753 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.92 163.64 33.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.462 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.77 109.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.821 HD23 ' HB2' ' B' ' 93' ' ' ALA . 56.2 mt -147.31 126.69 6.47 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 52.3 Cg_exo -55.73 146.38 66.35 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.836 2.358 . . . . 0.0 112.51 -176.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -53.65 -31.06 45.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.267 -174.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -64.95 -29.81 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.755 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -72.58 -27.48 62.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.779 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -61.94 -23.84 66.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.338 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.74 ' HD1' HD13 ' A' ' 85' ' ' ILE . 58.4 t80 -53.02 -39.5 63.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.077 174.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.74 HD13 ' HD1' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -83.76 -35.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.87 -38.51 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.074 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -58.06 -33.65 69.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.298 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.18 -28.15 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.182 0.515 . . . . 0.0 110.266 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -82.52 -22.65 34.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.586 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 33.5 tt0 -61.87 -51.13 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.287 0.565 . . . . 0.0 110.057 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.2 62.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.561 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.74 -44.16 34.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.303 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' B' ' 79' ' ' PRO . . . -68.68 -35.1 76.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.484 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 94' ' ' LYS . 38.2 ttmt -66.5 -32.22 73.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.47 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -69.96 -20.41 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.964 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.84 -5.27 37.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -92.25 -27.58 17.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -96.69 116.89 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 0.0 111.444 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.81 66.95 4.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.779 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -76.46 156.84 32.71 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.339 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.428 -179.215 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtt . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -83.68 67.14 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.002 0.906 . . . . 0.0 109.958 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -136.97 143.18 42.7 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.893 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' B' ' 32' ' ' VAL . 5.7 ppt_? -118.34 151.82 36.98 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.33 0.586 . . . . 0.0 110.6 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.3 171.83 8.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.855 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -98.79 160.56 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.403 ' HG2' HG11 ' B' ' 32' ' ' VAL . 49.8 mt-10 -64.47 -36.55 84.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.27 . . . . 0.0 111.332 -176.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -61.56 -42.13 98.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 90.9 mt-30 -78.17 -26.71 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.601 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.474 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 13.8 mm100 -59.97 -36.56 77.39 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.81 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 9' ' ' GLN . 65.9 mm-40 -64.05 -40.56 96.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.952 0.406 . . . . 0.0 111.286 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.532 -175.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 41.7 pt -116.15 -14.66 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 11' ' ' GLN . 44.8 tt0 -41.96 -61.57 1.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.767 0.827 . . . . 0.0 112.91 -170.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.53 35.38 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.637 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 17' ' ' LEU . 3.9 mm? -100.98 146.35 27.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.948 0.404 . . . . 0.0 110.911 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -85.86 83.62 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.673 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -135.26 144.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.481 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.64 141.66 40.8 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.567 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HA ' HD12 ' B' ' 24' ' ' ILE . 12.3 pt20 -54.24 -34.8 61.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.526 0.203 . . . . 0.0 111.277 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.518 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.2 mt-30 -62.39 -47.53 83.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.67 68.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.887 0.375 . . . . 0.0 111.082 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 21' ' ' GLN . 82.7 mt -68.45 -49.56 64.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.2 0.524 . . . . 0.0 109.992 174.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 42.8 mt-10 -64.51 -29.53 70.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.786 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 22' ' ' GLN . 85.0 mt -71.72 -48.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 0.0 109.715 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -61.5 -28.2 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.665 -176.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.698 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 53.9 ttt180 -62.92 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.717 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -102.57 -43.72 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.624 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.591 HG21 HG13 ' B' ' 51' ' ' VAL . 5.9 t -70.82 -40.78 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.248 0.547 . . . . 0.0 111.57 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.2 tt -104.09 -30.81 10.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.678 -172.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 99.1 t -96.12 -43.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.486 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 11.9 t70 -78.97 -28.03 43.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.592 0.711 . . . . 0.0 109.229 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.533 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 96.22 25.46 12.55 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.245 -0.888 . . . . 0.0 112.22 176.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 125.37 60.11 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-O 120.632 0.253 . . . . 0.0 110.926 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.98 144.56 44.95 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.081 2.521 . . . . 0.0 112.125 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -58.09 -35.31 71.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.112 -173.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.06 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.298 . . . . 0.0 111.02 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.0 m -68.27 -52.47 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.91 -38.57 91.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.17 -174.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -58.54 -51.17 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -65.61 -37.51 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.097 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -61.7 -50.11 73.76 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.28 -12.8 25.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.41 9.44 61.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.374 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.91 155.98 28.78 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.0 p -80.81 155.15 26.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -65.08 -31.85 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.982 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.88 -35.86 92.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.55 -38.45 62.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 110.411 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.591 HG13 HG21 ' B' ' 30' ' ' VAL . 83.6 t -68.48 -43.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.417 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.8 p -69.77 -28.25 65.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -62.99 -40.26 97.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.96 74.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.473 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.48 -36.78 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.211 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.48 -50.64 68.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 0.0 111.699 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.466 ' HA ' ' HD2' ' B' ' 57' ' ' ARG . 20.4 tpt180 -70.01 -49.84 47.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.463 -172.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.52 -45.45 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.54 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -59.61 -48.66 80.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.397 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.6 85.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.268 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' B' ' 65' ' ' LYS . . . -62.36 -46.74 87.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.336 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.649 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 86.1 t80 -64.15 -40.83 96.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.447 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.38 -38.6 87.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.872 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.2 -27.73 69.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.066 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' B' ' 61' ' ' ALA . 46.1 mtpt -72.8 -16.2 61.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.13 -13.46 57.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.139 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tt 59.71 90.74 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 123.729 0.643 . . . . 0.0 111.162 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.1 87.8 0.86 Allowed 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.833 2.355 . . . . 0.0 111.601 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.73 111.88 23.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.949 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.95 25.12 2.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.841 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -91.35 149.81 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.67 147.01 27.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -117.83 134.13 55.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.657 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.1 m -95.23 147.4 5.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.071 0.462 . . . . 0.0 110.723 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.5 m -140.95 118.04 11.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.335 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.95 165.4 29.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.887 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.648 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.0 t -81.47 107.99 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.536 ' HB2' HG22 ' A' ' 74' ' ' VAL . 5.7 mp -146.58 127.54 7.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 51.0 Cg_exo -54.62 145.08 61.08 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.506 2.138 . . . . 0.0 111.668 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.75 -17.88 26.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.733 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -56.23 -39.07 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.985 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.424 ' O ' HG23 ' B' ' 86' ' ' VAL . 32.8 mm-40 -72.44 -31.17 65.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.649 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.42 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.92 -24.01 66.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' TYR . . . . . 0.677 ' HD1' HD13 ' B' ' 85' ' ' ILE . 57.6 t80 -53.45 -39.87 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.335 0.588 . . . . 0.0 110.097 174.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.677 HD13 ' HD1' ' B' ' 84' ' ' TYR . 0.3 OUTLIER -84.43 -38.54 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 82' ' ' GLN . 88.5 t -61.42 -41.71 91.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.148 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -63.97 -21.56 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -81.06 -41.69 22.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -72.29 -18.9 61.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.843 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.61 -38.51 90.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.531 . . . . 0.0 110.73 177.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.32 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.403 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 12.0 t70 -80.02 -35.69 36.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.504 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -62.53 -37.02 84.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.406 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -72.63 -25.06 61.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.198 0.523 . . . . 0.0 110.193 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' B' ' 95' ' ' LYS . 36.5 ttpt -75.91 -26.21 56.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.058 175.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 92' ' ' ASP . 68.8 mmtt -62.84 -37.11 85.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.235 0.54 . . . . 0.0 110.018 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -85.84 -31.09 22.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.305 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -118.24 81.13 1.63 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.84 0.829 . . . . 0.0 110.154 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 6.1 m -98.25 88.02 4.06 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.738 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -168.1 1.05 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.684 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 101' ' ' ARG . 37.0 mtp85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.312 -0.851 . . . . 0.0 109.705 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.765 0.317 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -98.21 158.15 15.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.033 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.84 171.46 13.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.731 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 73.0 mtt180 -110.29 150.44 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -171.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 13.7 tp -90.25 130.62 36.35 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 156.43 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.122 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -51.07 -45.2 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.921 0.391 . . . . 0.0 111.208 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -59.62 -47.34 85.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.144 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.87 -38.24 90.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.553 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.77 -44.15 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -44.54 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.519 178.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.99 -43.57 92.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.85 -49.44 74.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.442 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.16 -33.32 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.972 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 42.47 -88.4 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.47 1.106 . . . . 0.0 113.389 170.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.25 32.32 1.04 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -69.63 139.27 53.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 111.39 -176.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 1.5 pm0 -83.72 83.41 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.649 0.738 . . . . 0.0 110.298 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 57' ' ' ARG . 12.7 m -141.66 142.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.941 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 146.65 50.09 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.691 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -54.42 -24.15 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.691 0.396 . . . . 0.0 111.519 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 26' ' ' ILE . 15.2 mm100 -59.68 -50.82 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 176.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -61.69 -37.83 85.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.474 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.09 -39.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.88 -31.51 71.36 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 82.5 mt -64.43 -50.27 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.92 72.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.331 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 31.1 mtp180 -59.27 -38.87 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.04 0.34 51.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.221 -176.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 37' ' ' GLN . 2.1 t -111.52 -52.18 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 55' ' ' VAL . 3.9 pp -104.44 -27.24 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.826 -177.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 87.6 t -78.67 -42.71 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.374 0.607 . . . . 0.0 109.679 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.473 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 25.4 t0 -83.55 -18.12 39.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.881 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.731 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.62 26.81 72.96 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.986 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -96.9 149.6 35.91 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.673 0.273 . . . . 0.0 111.024 -176.464 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.71 120.8 5.66 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.318 2.679 . . . . 0.0 112.527 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 30' ' ' VAL . 1.7 mp0 -57.46 -35.03 69.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.618 -175.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.334 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -65.42 -40.8 93.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 22.8 t80 -66.66 -40.13 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.426 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.706 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -61.75 -50.0 74.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.647 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -60.69 -33.95 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.904 0.383 . . . . 0.0 111.216 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -73.29 -51.47 17.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.912 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.13 3.04 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 36.78 37.0 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.673 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 61.6 mt -99.37 158.76 15.5 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -100.01 157.01 16.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.64 -52.13 32.88 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.52 -43.34 97.65 Favored Glycine 0 C--O 1.227 -0.313 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.87 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.21 81.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 111.101 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' A' ' 41' ' ' ALA . 95.4 t -68.2 -41.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 110.798 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -66.49 -29.72 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.773 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.53 -41.87 96.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.77 89.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.532 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.8 ' HA ' HD23 ' A' ' 31' ' ' LEU . 9.8 p -68.33 -40.39 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.337 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -66.18 -49.77 66.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 0.0 111.301 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HG2' HG11 ' A' ' 19' ' ' VAL . 6.4 tpt180 -58.18 -49.72 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.656 -174.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HB ' HD21 ' A' ' 31' ' ' LEU . 86.0 t -74.46 -46.58 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.427 -176.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 5' ' ' LEU . 17.4 t-105 -61.44 -41.32 97.02 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.058 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.48 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.239 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.57 -33.2 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 110.775 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.09 -41.88 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.675 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -71.82 -46.87 56.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.48 -7.51 53.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.502 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -62.51 -24.24 67.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.17 8.83 7.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.379 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.2 mt -122.86 73.99 46.12 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 110.766 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.58 -24.92 5.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.088 2.526 . . . . 0.0 113.054 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -130.1 132.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.747 0.308 . . . . 0.0 110.227 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.89 -22.94 34.35 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.52 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.73 118.38 30.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.672 -0.311 . . . . 0.0 110.165 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.17 154.87 36.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.6 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 37.4 ptt180 -86.63 110.1 19.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.285 0.564 . . . . 0.0 110.209 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' B' ' 75' ' ' THR . 29.3 m -87.66 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.975 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.3 m -117.37 119.4 34.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 111.205 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.738 ' HA ' ' HG2' ' B' ' 90' ' ' GLU . . . -132.85 149.51 52.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.779 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 90.2 t -77.83 122.0 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.172 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD13 ' HG2' ' A' ' 82' ' ' GLN . 51.5 mt -154.72 137.45 10.17 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 78' ' ' LEU . 50.3 Cg_exo -56.1 152.31 38.22 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.476 2.118 . . . . 0.0 112.182 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.9 -22.73 64.63 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.838 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.71 -41.18 98.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HG2' HD13 ' A' ' 78' ' ' LEU . 7.1 tp60 -72.44 -32.25 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.805 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.41 -24.93 66.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.537 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -52.85 -45.81 67.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -84.5 -29.43 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.571 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG11 ' HB ' ' B' ' 74' ' ' VAL . 92.4 t -62.64 -37.69 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.158 176.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.04 -31.95 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.949 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.75 -43.76 19.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.9 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -60.1 -36.52 77.62 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.42 -44.68 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.0 109.916 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.5 73.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.558 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 24.6 t70 -67.47 -35.46 79.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.623 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -64.4 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.363 0.601 . . . . 0.0 110.426 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.1 -27.04 48.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.949 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.697 ' HG3' ' HB3' ' A' ' 100' ' ' LYS . 2.2 ttpm? -73.61 -15.32 61.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.391 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 64.5 mttm -76.67 -11.22 59.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.532 0.682 . . . . 0.0 109.715 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.34 -50.78 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.275 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.08 138.53 39.6 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -78.7 58.66 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.542 0.687 . . . . 0.0 112.179 -170.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.697 ' HB3' ' HG3' ' A' ' 95' ' ' LYS . 12.8 tmtt? -101.63 133.18 46.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 100' ' ' LYS . 55.6 mtt180 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.634 -0.698 . . . . 0.0 109.805 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.002 0.43 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.08 147.89 23.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -66.1 162.68 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.417 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.865 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 94.7 mtt180 -104.55 138.87 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.673 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.73 137.04 32.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.2 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -75.94 156.79 33.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.91 -30.65 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.075 0.464 . . . . 0.0 110.02 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -65.91 -48.77 70.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.96 -35.58 80.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' B' ' 24' ' ' ILE . 67.1 t80 -62.76 -42.97 99.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.489 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -46.17 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.611 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.46 -42.15 92.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.83 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.771 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.5 pt -83.31 -39.08 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.909 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 33.08 -90.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.775 1.23 . . . . 0.0 113.692 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.89 34.97 2.04 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.13 160.15 20.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.733 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' B' ' 18' ' ' GLU . 1.1 pm0 -81.78 83.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.877 0.846 . . . . 0.0 109.604 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -130.23 132.57 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.66 147.64 43.87 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.879 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.02 -23.88 66.65 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.628 ' HA ' ' HB3' ' B' ' 25' ' ' GLU . 20.0 mt-30 -77.93 -30.41 50.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.917 174.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.645 HG23 ' HA ' ' B' ' 54' ' ' ALA . 21.1 m -62.99 -39.01 93.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 172.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' B' ' 10' ' ' PHE . 75.2 mt -67.86 -45.32 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.349 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.628 ' HB3' ' HA ' ' B' ' 22' ' ' GLN . 3.0 tt0 -55.82 -41.21 73.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.65 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.534 HG21 ' HA ' ' B' ' 51' ' ' VAL . 80.3 mt -72.89 -50.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.675 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.7 71.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.887 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.682 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 16.6 mtp180 -54.14 -29.51 45.51 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 112.032 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -108.04 -35.53 2.53 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.087 -1.054 . . . . 0.0 111.539 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' B' ' 37' ' ' GLN . 4.0 t -70.15 -51.66 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' B' ' 55' ' ' VAL . 3.9 pp -107.53 -23.05 12.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.129 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.682 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.3 t -81.42 -50.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.835 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 28.3 t70 -80.85 -18.41 47.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.449 0.642 . . . . 0.0 109.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.865 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 68.5 41.45 84.64 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.75 -1.114 . . . . 0.0 113.283 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -106.76 152.27 40.78 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.3 124.08 5.98 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.101 2.534 . . . . 0.0 111.924 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.712 ' HG3' HG13 ' B' ' 30' ' ' VAL . 2.0 mp0 -60.07 -31.83 70.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.578 -171.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.556 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -63.3 -42.33 99.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.57 -34.9 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.861 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -56.87 -44.61 82.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.167 173.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.9 m -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.433 ' HB3' HD22 ' B' ' 44' ' ' LEU . 45.1 t -69.33 -56.1 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.177 -173.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.575 ' HB2' ' HG ' ' B' ' 46' ' ' LEU . 2.4 mm? -91.76 5.97 47.77 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.646 -172.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.53 34.83 74.05 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.242 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.861 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 62.5 mt -86.14 155.64 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.26 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -91.25 158.82 16.37 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.61 -43.78 93.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -61.98 -41.61 99.68 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.411 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.95 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.615 0.245 . . . . 0.0 111.111 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.0 t -61.91 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.7 t -67.07 -33.62 75.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 6.5 tp60 -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.341 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.645 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.39 -42.84 92.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.71 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.704 ' HA ' HD23 ' B' ' 31' ' ' LEU . 13.1 p -69.21 -36.29 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.3 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -65.99 -50.91 62.63 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.602 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' B' ' 18' ' ' GLU . 22.3 tpt180 -60.7 -56.97 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.359 -172.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.535 ' HB ' HD21 ' B' ' 31' ' ' LEU . 96.7 t -66.53 -41.08 87.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.6 0.238 . . . . 0.0 111.441 -174.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -65.67 -36.25 83.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.077 0.465 . . . . 0.0 110.282 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.93 77.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.648 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.351 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -61.53 -45.73 92.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.4 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -61.49 -46.19 91.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.285 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.45 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.427 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -65.34 -29.09 69.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 110.791 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASN . . . . . 0.431 ' O ' ' HD3' ' B' ' 68' ' ' PRO . 92.7 m-20 -73.97 -4.61 36.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.059 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 97.8 mt -117.88 74.76 9.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.193 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' B' ' 66' ' ' ASN . 18.9 Cg_endo -93.9 32.41 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.523 2.815 . . . . 0.0 112.684 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.63 112.96 3.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.12 -7.59 76.9 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.114 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 118.37 36.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.17 154.11 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.192 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 27.4 ptt180 -96.99 114.41 26.02 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.543 0.687 . . . . 0.0 109.187 174.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.545 ' HB ' HG11 ' A' ' 86' ' ' VAL . 31.2 m -86.45 145.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.053 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 73' ' ' ARG . 41.5 m -129.48 132.73 46.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.62 153.94 36.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.017 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.623 ' HB ' ' HB3' ' A' ' 93' ' ' ALA . 46.3 t -79.14 116.04 22.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.886 0.374 . . . . 0.0 110.379 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 77' ' ' VAL . 1.1 mt -151.15 134.28 8.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.75 147.01 90.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.517 2.145 . . . . 0.0 111.287 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLU . . . . . 0.757 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 47.4 mt-10 -62.38 -19.55 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.252 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -67.34 -39.89 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 109.883 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.44 ' HG2' HD22 ' B' ' 78' ' ' LEU . 7.5 tp60 -73.38 -41.74 62.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.426 0.631 . . . . 0.0 109.572 172.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -59.72 -22.72 62.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -51.58 -45.01 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.168 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 mt -83.8 -30.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.39 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.495 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 59.8 t -63.45 -37.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.126 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -60.52 -32.51 71.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.769 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -46.1 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 19.2 m0 -63.88 -28.6 69.95 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.656 178.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.738 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 3.7 tm-20 -55.6 -51.99 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.701 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.89 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 22.0 t70 -64.75 -39.36 93.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.043 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -63.42 -42.14 98.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.15 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' B' ' 95' ' ' LYS . 27.9 ttpt -65.81 -33.67 76.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.318 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.34 -19.69 66.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 111.414 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -88.76 -13.79 38.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.21 0.529 . . . . 0.0 109.976 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -99.02 152.8 19.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.461 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -82.82 76.87 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.349 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -138.86 127.64 23.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.25 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 36.1 mtt180 . . . . . 0 C--O 1.254 1.315 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.013 176.018 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.24 134.89 2.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.449 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.531 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -127.73 164.72 21.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.742 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -118.31 169.51 9.67 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.269 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 5' ' ' LEU . 14.0 mt -135.12 169.06 18.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.545 0.688 . . . . 0.0 112.711 -170.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.62 162.23 13.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.193 171.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -46.7 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.567 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.16 -29.21 66.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.203 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.8 -44.58 85.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.428 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -72.98 -27.43 61.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.481 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.57 -35.01 70.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.579 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.28 84.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' HB ' HG21 ' A' ' 19' ' ' VAL . 4.9 pt -81.51 -7.48 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -73.38 118.12 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.47 0.48 67.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.123 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -106.73 155.98 19.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 110.671 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.78 84.48 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.471 0.653 . . . . 0.0 109.496 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.445 HG21 ' HB ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -120.78 128.77 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.916 -178.355 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.79 168.24 41.27 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.409 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.15 -36.78 71.14 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.255 0.622 . . . . 0.0 111.832 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.667 0.27 . . . . 0.0 110.998 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -68.51 -43.07 77.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.287 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mt -70.06 -46.73 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.971 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -66.63 -31.95 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.0 -46.34 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.086 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.27 64.81 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.718 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 8.9 ttm-85 -63.93 -29.36 70.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.125 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.78 -38.91 2.44 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.843 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG11 ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -70.14 -41.29 78.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 122.923 0.489 . . . . 0.0 111.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -94.5 -62.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.403 -178.152 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 21.4 t -54.14 -54.07 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.005 0.522 . . . . 0.0 112.253 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -22.72 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 0.0 110.205 -178.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.742 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 78.75 31.03 45.89 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.159 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -78.61 149.2 74.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.453 0.168 . . . . 0.0 110.861 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.78 136.29 44.96 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.803 2.336 . . . . 0.0 112.545 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -32.07 73.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.238 -176.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.43 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.365 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -36.61 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.603 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -39.96 94.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.26 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.194 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -66.93 -42.61 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.811 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.0 m -70.78 -50.32 37.06 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.55 -9.58 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.53 33.82 24.19 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.49 166.75 10.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.104 0.478 . . . . 0.0 110.376 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.49 155.03 22.36 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -68.42 -37.23 80.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.432 0.158 . . . . 0.0 111.092 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.61 -30.26 74.68 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.539 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.03 69.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.622 0.249 . . . . 0.0 111.013 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.32 -40.77 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 55' ' ' VAL . 17.3 m -70.41 -24.66 62.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.472 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.52 -34.04 71.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.708 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -74.48 -41.33 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.748 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.565 HG23 HD13 ' A' ' 31' ' ' LEU . 7.5 p -67.76 -36.57 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -48.02 75.27 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.355 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -56.3 22.42 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.567 0.542 . . . . 0.0 112.349 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.82 -35.23 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.531 ' CH2' ' HB3' ' A' ' 3' ' ' LYS . 39.9 t-105 -69.41 -36.24 76.52 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.134 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.09 91.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.59 98.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.91 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 66' ' ' ASN . 78.3 t80 -61.44 -51.83 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.221 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.45 -38.26 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.327 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.64 -41.5 83.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.84 -15.16 52.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.967 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -93.35 -3.87 52.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.576 0.227 . . . . 0.0 111.341 -178.361 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -49.11 16.71 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.46 105.53 0.36 Allowed 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 122.174 1.916 . . . . 0.0 111.893 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -141.78 120.91 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.228 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.01 -21.22 47.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.411 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -96.92 131.81 43.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.0 135.0 50.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.634 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.75 112.06 24.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.294 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' B' ' 78' ' ' LEU . 32.6 m -87.73 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.027 0.441 . . . . 0.0 110.589 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.566 HG22 ' HD3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.22 133.32 45.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.728 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -143.73 152.15 40.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.58 111.15 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' HB2' HG22 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -155.36 148.38 18.2 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.636 -176.648 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.681 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 28.4 Cg_exo -61.79 146.26 96.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.883 2.389 . . . . 0.0 112.944 -178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.76 -25.87 65.83 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.785 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -68.79 -31.87 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.805 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -26.25 61.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.422 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.84 60.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.032 0.533 . . . . 0.0 112.13 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -52.35 -47.06 66.31 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 173.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.991 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.47 -30.52 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' A' ' 87' ' ' ARG . 12.2 mmm-85 -64.18 -29.12 70.25 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 111.09 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -38.54 48.25 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.094 0.473 . . . . 0.0 110.159 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 39.9 m0 -72.19 -24.1 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.029 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.605 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 57.0 tt0 -70.53 -38.57 74.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 175.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.81 76.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.397 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.68 -37.34 82.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.091 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.35 68.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.655 0.264 . . . . 0.0 111.011 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -40.26 94.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 0.0 109.989 173.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -78.16 -8.59 58.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.553 177.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 100' ' ' LYS . 6.4 tttp -81.41 -19.44 42.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 0.0 110.117 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.3 -33.59 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.143 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.94 126.54 41.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.173 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.98 44.99 15.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.912 0.757 . . . . 0.0 111.796 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 17.1 mttt -136.23 138.91 42.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.279 178.892 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.142 0.496 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.28 72.19 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.305 0.574 . . . . 0.0 110.406 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -76.28 132.18 39.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.008 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.652 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.0 OUTLIER -111.61 170.18 8.31 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.51 -173.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.38 172.67 10.44 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.368 0.604 . . . . 0.0 112.517 -171.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 p -98.97 155.72 17.28 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.007 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.485 ' HG3' HG11 ' B' ' 32' ' ' VAL . 2.7 mp0 -67.2 -24.21 65.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.845 0.355 . . . . 0.0 110.767 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -50.15 58.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.317 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -77.93 -22.94 48.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.91 0.386 . . . . 0.0 110.587 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.46 -38.04 88.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.467 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -65.4 -45.94 81.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -34.86 78.21 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.662 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.36 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.4 pt -81.81 -11.89 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 107.05 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.213 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.29 0.39 61.41 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.478 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' B' ' 19' ' ' VAL . 0.4 OUTLIER -89.91 146.11 24.64 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.175 0.512 . . . . 0.0 111.176 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.11 83.76 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.344 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' B' ' 17' ' ' LEU . 0.0 OUTLIER -135.39 146.36 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.088 -177.413 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.08 156.46 45.59 Favored Glycine 0 N--CA 1.435 -1.414 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.064 172.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -63.42 -23.51 67.43 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.539 0.335 . . . . 0.0 111.419 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -65.07 -48.28 74.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.994 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -35.72 81.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 57.6 mt -69.35 -41.28 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.14 -32.6 74.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.628 HG21 ' HA ' ' B' ' 51' ' ' VAL . 64.7 mt -71.85 -49.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.275 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.82 65.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.162 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.494 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -65.94 -34.13 77.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.888 176.071 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -99.36 -28.59 7.52 Favored Glycine 0 C--O 1.223 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -79.08 -42.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -177.367 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -97.22 -60.93 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.54 -177.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 14.5 t -60.52 -50.65 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 35.8 t0 -74.77 -50.28 17.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.652 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 109.2 49.77 0.75 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.621 175.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 0.5 OUTLIER -103.4 137.6 19.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.586 0.232 . . . . 0.0 110.71 -178.635 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 36.1 Cg_exo -62.91 149.44 91.48 Favored 'Trans proline' 0 C--O 1.24 0.579 0 C-N-CA 123.105 2.537 . . . . 0.0 112.607 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -62.36 -41.64 98.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.77 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -39.18 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.936 -177.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -35.16 77.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.803 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.95 -50.56 68.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -43.01 73.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.3 m -76.63 -42.6 41.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -12.14 41.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.02 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.148 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.561 HD13 HG12 ' B' ' 26' ' ' ILE . 2.1 mt -112.85 166.02 11.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 155.06 25.21 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -63.73 -40.4 96.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.164 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -31.08 68.33 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.797 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.46 -45.91 67.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.987 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.628 ' HA ' HG21 ' B' ' 26' ' ' ILE . 48.2 t -62.23 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.905 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -71.63 -25.96 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.822 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.55 -37.59 71.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.514 0.197 . . . . 0.0 110.563 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.12 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.14 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.559 ' HB ' HG11 ' B' ' 30' ' ' VAL . 2.2 p -65.61 -45.11 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -43.12 84.14 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -64.21 -50.02 69.67 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.21 -39.55 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -64.5 -40.01 94.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.591 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.46 80.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.969 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.56 -39.32 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.37 -40.51 93.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.69 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.04 -35.18 76.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.93 -39.4 72.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.033 0.444 . . . . 0.0 110.708 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -79.97 2.07 24.99 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.54 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.58 -5.31 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.527 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' B' ' 67' ' ' LEU . 0.2 OUTLIER -79.22 -48.99 1.5 Allowed Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.439 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -70.01 78.47 1.09 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 122.284 1.99 . . . . 0.0 112.551 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.34 118.26 23.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.372 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 -56.93 2.93 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.289 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.68 146.04 27.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.437 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.25 165.75 18.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.651 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.566 ' HD3' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -123.16 115.32 21.58 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.678 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 78' ' ' LEU . 14.2 m -85.54 131.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.314 0.578 . . . . 0.0 111.247 -176.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' THR . . . . . 0.47 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -112.65 126.07 54.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.886 176.801 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.77 155.26 41.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.617 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.605 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 95.5 t -77.56 120.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.417 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -158.85 147.36 14.04 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 123.803 0.689 . . . . 0.0 109.281 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.89 157.05 45.33 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.629 2.219 . . . . 0.0 113.386 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.74 63.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.948 -175.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.216 0.531 . . . . 0.0 110.447 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.33 61.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.164 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.576 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -63.71 -23.75 67.5 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.15 -50.19 73.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.186 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.662 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.728 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.7 t -65.25 -37.01 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.011 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -68.75 -26.93 65.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.199 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -35.72 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.134 0.492 . . . . 0.0 110.089 175.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -72.82 -18.52 61.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.37 -51.86 66.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.297 0.57 . . . . 0.0 110.891 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.02 44.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.9 -40.26 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.472 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.681 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -72.83 -28.86 62.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -69.51 -40.7 76.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.102 0.477 . . . . 0.0 110.045 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -70.3 -23.22 62.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -65.79 -26.26 67.62 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.389 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -106.86 -32.87 7.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.5 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.95 121.9 30.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.042 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.26 33.67 20.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' B' ' 100' ' ' LYS . 0.9 OUTLIER -139.76 115.02 9.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 mtm105 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.873 177.913 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.97 27.3 7.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.861 ' HB2' ' HH2' ' A' ' 59' ' ' TRP . 83.1 mttt -89.17 162.61 15.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -119.95 132.02 55.38 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 28.7 mt -100.93 160.05 14.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.9 p -103.74 170.55 7.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.145 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.15 -41.07 91.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.086 0.403 . . . . 0.0 110.574 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 p -62.7 -45.08 94.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -78.0 -23.92 48.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.996 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -68.64 -34.27 75.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.065 0.459 . . . . 0.0 110.142 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -62.31 -26.38 68.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.485 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -71.6 -43.53 66.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -66.96 -22.13 65.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.408 -174.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG21 HG23 ' A' ' 24' ' ' ILE . 37.4 pt -109.85 -10.43 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -46.9 -68.83 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.23 31.17 8.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.55 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.93 132.85 52.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.675 0.274 . . . . 0.0 110.875 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -84.35 83.23 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.186 0.517 . . . . 0.0 109.653 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.42 HG23 HD11 ' A' ' 24' ' ' ILE . 3.2 m -127.3 133.58 67.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.417 -177.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.26 151.24 50.27 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.66 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 17.3 pt20 -48.77 -43.99 38.34 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 26' ' ' ILE . 24.2 mm-40 -58.39 -40.72 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.082 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 m -62.09 -41.88 98.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.251 0.548 . . . . 0.0 110.153 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.449 HG23 HG21 ' A' ' 14' ' ' ILE . 72.3 mt -69.82 -51.52 39.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.276 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 47.3 mt-10 -62.52 -26.34 68.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.893 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.533 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 75.0 mt -69.54 -50.67 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-O 121.027 0.442 . . . . 0.0 109.828 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . . . -65.98 -25.39 67.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.941 -174.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 48.9 ttt180 -66.79 -29.82 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.89 10.8 27.41 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.542 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.704 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 2.1 t -112.61 -52.29 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.583 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 55' ' ' VAL . 78.7 mt -82.83 -42.46 17.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.347 0.594 . . . . 0.0 110.855 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 21.2 t -74.45 -25.3 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.243 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.484 ' OD2' ' HG3' ' A' ' 36' ' ' PRO . 37.0 t70 -96.67 -14.82 21.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.73 30.82 2.91 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.926 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 39.0 tttm 65.19 55.02 1.18 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 168.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.704 ' HD2' ' HA ' ' A' ' 30' ' ' VAL . 86.5 Cg_endo -97.74 57.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.089 2.526 . . . . 0.0 111.365 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -55.39 -46.78 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.56 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.97 90.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -64.86 -47.51 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.729 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 26' ' ' ILE . 28.7 t80 -65.57 -41.17 93.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.937 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.551 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -58.61 -55.74 31.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.827 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 m -65.98 -26.24 67.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.99 0.424 . . . . 0.0 111.171 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 t -66.97 -47.62 71.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -92.61 -11.64 33.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.368 . . . . 0.0 111.507 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.19 64.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.789 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 26' ' ' ILE . 95.9 mt -82.39 157.15 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.81 155.98 23.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.119 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.59 -45.56 70.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.86 94.4 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.243 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.13 93.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.138 0.469 . . . . 0.0 110.651 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 41' ' ' ALA . 69.4 t -63.25 -35.18 71.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.489 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.735 ' HA ' HG12 ' A' ' 55' ' ' VAL . 33.2 m -72.79 -30.01 63.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.41 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.74 -45.92 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.06 79.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 52' ' ' SER . 7.5 p -64.42 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.742 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -66.15 -46.68 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.26 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -61.31 -53.9 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.073 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.74 -43.11 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.197 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.861 ' HH2' ' HB2' ' A' ' 3' ' ' LYS . 72.3 t-105 -63.58 -43.77 96.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.627 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -62.59 -37.51 86.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.61 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 90.5 t80 -71.47 -49.51 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.47 -32.01 73.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.204 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -78.4 -26.15 46.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 55.7 tttm -66.63 -39.94 88.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.196 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -96.35 12.46 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.897 0.379 . . . . 0.0 111.672 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.1 tt -90.62 121.45 68.27 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.16 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 12.5 Cg_exo -71.49 117.8 5.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.241 2.628 . . . . 0.0 112.284 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -103.77 137.06 42.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.046 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.89 -63.61 1.82 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -121.93 118.69 29.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.58 150.78 44.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.646 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.478 HH11 ' HB ' ' B' ' 77' ' ' VAL . 22.8 mmm180 -92.48 107.32 19.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.65 142.7 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.564 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 m -125.64 120.93 32.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.749 -175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.33 151.57 40.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.751 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 7.3 p -84.3 134.47 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.502 HD12 ' HD2' ' A' ' 79' ' ' PRO . 21.9 tp -173.31 131.83 0.59 Allowed Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HD2' HD12 ' A' ' 78' ' ' LEU . 73.9 Cg_exo -51.36 145.81 26.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.584 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.71 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.924 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -55.77 -42.7 75.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.254 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.4 mp0 -71.75 -28.42 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.198 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.518 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.29 -24.26 64.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -52.55 -47.64 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.972 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 mt -84.42 -30.37 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.267 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -59.79 -38.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.143 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.8 -32.24 70.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.345 . . . . 0.0 110.772 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -77.11 -36.17 55.81 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -70.05 -34.98 73.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.44 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' B' ' 77' ' ' VAL . 13.8 tm-20 -62.68 -36.13 81.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 177.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -39.2 77.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.29 -49.29 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.782 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.788 ' HB3' HG13 ' B' ' 77' ' ' VAL . . . -67.56 -29.14 68.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 0.0 110.628 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.06 -34.81 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.49 -17.84 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.393 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -68.9 -10.98 60.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.194 0.521 . . . . 0.0 110.47 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -119.0 -43.82 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.513 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.49 113.98 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.484 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -119.13 109.66 16.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.021 -174.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -102.68 179.11 4.38 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.353 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.381 -0.818 . . . . 0.0 110.575 175.256 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.832 0.348 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.94 91.08 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.231 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -115.71 174.64 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' B' ' 4' ' ' ARG . 9.5 ttm180 -127.85 152.9 47.25 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.671 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 30.6 mt -119.92 158.72 26.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.909 0.385 . . . . 0.0 110.632 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.7 p -102.88 170.72 7.81 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.07 -31.56 72.0 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.594 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -62.06 -49.32 76.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.836 0.35 . . . . 0.0 110.752 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.67 -32.67 68.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.24 -47.69 81.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.169 0.509 . . . . 0.0 109.958 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -58.89 -37.29 76.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.781 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.07 -39.43 86.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.85 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.489 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -75.42 -36.07 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.144 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.7 pt -93.01 -10.25 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -36.18 -57.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 113.625 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.47 37.48 3.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.675 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 13' ' ' ALA . 3.2 mm? -116.51 139.19 50.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 111.605 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -85.09 83.63 7.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.707 HG23 HD11 ' B' ' 24' ' ' ILE . 4.7 m -120.58 140.96 43.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.584 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 159.97 39.5 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 114.252 -1.34 . . . . 0.0 111.842 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.69 -33.26 64.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.213 -0.493 . . . . 0.0 112.186 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.81 -48.12 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -32.88 65.34 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.707 HD11 HG23 ' B' ' 19' ' ' VAL . 74.0 mt -68.54 -51.21 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.463 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.36 -29.79 71.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.982 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.451 ' HA ' ' CE1' ' B' ' 40' ' ' PHE . 83.1 mt -71.52 -48.82 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 109.785 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.12 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.582 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.602 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 57.0 ttt85 -64.03 -41.85 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.471 176.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' B' ' 33' ' ' ASP . . . -98.44 5.53 60.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.702 -178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.713 HG11 ' HB ' ' B' ' 55' ' ' VAL . 1.5 t -113.12 -52.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 120.54 0.209 . . . . 0.0 111.172 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.463 HD21 HG23 ' B' ' 55' ' ' VAL . 72.5 mt -84.64 -50.52 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.118 0.485 . . . . 0.0 110.778 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.2 t -69.37 -26.87 32.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.966 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' HA2' ' B' ' 29' ' ' GLY . 10.2 t70 -89.16 -15.95 32.55 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.34 -172.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.425 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . 111.25 25.78 4.87 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.801 -1.19 . . . . 0.0 113.609 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.574 ' N ' ' HD3' ' B' ' 36' ' ' PRO . 53.7 tttm 67.08 56.19 0.82 Allowed Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 123.783 0.833 . . . . 0.0 112.938 172.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.585 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 61.3 Cg_endo -99.62 53.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.806 . . . . 0.0 111.153 172.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.401 ' NE2' HG11 ' B' ' 55' ' ' VAL . 52.4 mt-30 -55.18 -43.79 74.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.235 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.276 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -69.56 -43.49 72.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.952 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 21.6 t80 -65.77 -41.71 91.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.352 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.417 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -56.34 -55.45 33.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.122 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -68.69 -35.37 77.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.796 0.331 . . . . 0.0 111.287 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -62.03 -47.52 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.939 -175.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.94 -6.69 38.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.74 33.32 34.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.99 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -98.35 153.28 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.847 0.356 . . . . 0.0 110.243 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -73.88 154.43 39.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.454 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.68 -44.74 96.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.11 91.63 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.681 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.91 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.691 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' B' ' 41' ' ' ALA . 82.2 t -60.71 -41.98 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.453 ' HA ' HG12 ' B' ' 55' ' ' VAL . 16.1 m -72.07 -25.18 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.04 -45.95 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.96 94.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.622 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.713 ' HB ' HG11 ' B' ' 30' ' ' VAL . 6.9 p -63.85 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.989 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -65.35 -42.37 92.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -61.87 -54.07 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.02 -40.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -63.6 -43.01 98.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.919 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.56 84.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.892 0.377 . . . . 0.0 110.414 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' B' ' 65' ' ' LYS . . . -63.64 -35.91 82.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 177.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -71.14 -50.62 31.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.503 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.08 -40.74 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.601 -175.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.5 -18.1 58.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.107 0.48 . . . . 0.0 110.915 -176.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' B' ' 61' ' ' ALA . 63.2 tttm -70.33 -32.47 70.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 109.754 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -117.65 44.53 2.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.693 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' B' ' 68' ' ' PRO . 5.3 tt -113.58 110.0 50.31 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.158 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' PRO . . . . . 0.581 ' HB2' ' HB2' ' B' ' 72' ' ' ALA . 9.3 Cg_exo -71.35 126.77 12.59 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.919 2.413 . . . . 0.0 112.387 -178.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -112.53 139.04 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.84 -65.85 3.68 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.803 -176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.78 118.64 32.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 68' ' ' PRO . . . -151.16 157.24 42.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.893 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 89.5 mtt-85 -92.69 112.39 24.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 m -85.35 127.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -121.02 119.23 31.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.98 169.31 24.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.926 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.788 HG13 ' HB3' ' A' ' 93' ' ' ALA . 14.5 p -88.78 137.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -165.64 132.81 2.23 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -172.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 93' ' ' ALA . 54.1 Cg_exo -52.96 137.9 61.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.181 2.587 . . . . 0.0 112.794 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.2 OUTLIER -62.42 -29.66 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.307 -169.209 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -63.66 -49.49 72.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.683 0.277 . . . . 0.0 110.918 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.401 ' O ' HG23 ' B' ' 86' ' ' VAL . 1.2 mp0 -72.05 -29.51 64.23 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -66.1 -24.68 66.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.419 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -53.07 -50.6 64.05 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.396 0.617 . . . . 0.0 109.692 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.433 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.1 mt -70.74 -32.35 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.931 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 82' ' ' GLN . 98.9 t -65.12 -42.3 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.733 176.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -70.21 -23.29 62.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -77.08 -37.94 53.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.58 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 26.3 m0 -68.2 -20.12 64.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.634 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.751 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 8.1 tm-20 -61.86 -43.11 99.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -28.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.409 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 13.5 t70 -67.84 -48.38 66.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.603 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' B' ' 96' ' ' LYS . . . -66.66 -29.8 69.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.017 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.25 -35.01 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.08 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.447 ' HA ' ' HB3' ' B' ' 98' ' ' GLU . 38.6 ttpt -67.94 -15.62 63.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.969 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' B' ' 93' ' ' ALA . 14.3 mptt -65.03 -21.3 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.027 0.442 . . . . 0.0 110.734 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.36 5.19 23.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.251 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.514 ' CD ' ' HE3' ' B' ' 100' ' ' LYS . 36.7 tt0 -96.7 138.73 33.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.3 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -133.51 88.57 2.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.983 0.421 . . . . 0.0 111.368 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.514 ' HE3' ' CD ' ' B' ' 98' ' ' GLU . 92.2 mttt -96.07 165.23 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.378 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.298 173.479 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -97.24 172.56 7.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.536 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.549 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 3.8 mptp? -93.38 170.93 9.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.175 0.512 . . . . 0.0 111.839 -171.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 1.7 mpp_? -98.18 157.45 16.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.665 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.0 tp -103.1 147.64 26.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -173.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -94.1 156.01 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 119.613 -0.232 . . . . 0.0 111.055 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -50.93 -45.28 60.48 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.3 t -60.28 -53.51 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.592 0.234 . . . . 0.0 110.851 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -61.34 -39.5 90.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.225 0.536 . . . . 0.0 109.954 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.3 t80 -59.32 -48.26 82.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.046 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -68.87 -41.83 77.83 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.68 -38.56 87.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.141 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.54 74.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 10' ' ' PHE . 31.1 pt -72.34 -29.14 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.857 0.361 . . . . 0.0 111.757 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.58 102.14 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.297 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.48 -20.11 5.56 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.486 -176.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.97 132.48 46.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.62 84.4 5.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 0.0 109.776 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.5 m -120.9 143.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.736 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.93 145.07 47.57 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.122 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 64.0 tt0 -54.27 -39.95 67.35 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.505 0.322 . . . . 0.0 111.187 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.614 ' O ' HG13 ' A' ' 26' ' ' ILE . 69.0 mt-30 -60.37 -42.5 95.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.313 -0.155 . . . . 0.0 110.898 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -59.4 -41.41 89.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.479 0.657 . . . . 0.0 109.929 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.57 -47.71 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.765 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 18.2 mm-40 -60.44 -31.26 70.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.622 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.662 HG21 ' HA ' ' A' ' 51' ' ' VAL . 81.4 mt -67.81 -50.89 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -65.64 -26.79 67.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.84 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 51.6 ttt85 -58.73 -28.6 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.742 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' A' ' 33' ' ' ASP . . . -107.02 -42.73 1.49 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.675 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 23.1 t -69.83 -28.23 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 C-N-CA 123.005 0.522 . . . . 0.0 111.76 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.686 HD21 HG23 ' A' ' 55' ' ' VAL . 37.9 mt -110.72 -33.58 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 12.0 t -97.58 -29.5 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 36.4 t70 -92.95 -8.73 42.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.108 0.48 . . . . 0.0 111.347 -171.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 112.64 17.54 7.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.881 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 48.1 tttm 68.0 70.25 0.44 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 166.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.75 -15.27 13.57 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.137 2.558 . . . . 0.0 112.079 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 60.32 -113.02 0.57 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.07 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -28.46 67.49 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -169.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.22 -34.73 72.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.419 . . . . 0.0 110.719 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 34.3 t80 -68.8 -40.96 79.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.861 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.811 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -60.96 -53.53 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -59.43 -35.26 73.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.218 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -67.92 -52.07 40.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.395 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.81 -9.83 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.73 64.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.837 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 HD13 HD11 ' A' ' 26' ' ' ILE . 71.4 mt -78.34 157.65 29.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.6 p -84.7 154.87 22.2 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.689 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.249 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -45.0 94.53 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.781 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.9 81.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.532 0.206 . . . . 0.0 110.81 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.811 HG21 ' HB2' ' A' ' 41' ' ' ALA . 55.8 t -57.51 -44.13 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.627 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 m -71.84 -26.87 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.162 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -71.26 -41.38 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.125 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.86 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.957 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.686 HG23 HD21 ' A' ' 31' ' ' LEU . 5.4 p -61.63 -42.42 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -66.25 -47.62 73.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.616 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -60.41 -56.46 21.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.099 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.62 -43.45 93.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.668 -175.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -63.69 -43.72 95.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.426 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.28 68.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.196 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -63.03 -50.17 71.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -69.76 -40.08 76.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.805 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -59.49 -40.14 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.805 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.33 -35.01 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 45.5 tttp -66.71 -12.22 57.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.145 -173.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 45.1 t30 -78.32 -19.22 53.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 11.0 mp 68.8 116.36 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.623 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 -175.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 2.6 Cg_exo -76.24 -6.14 16.92 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.157 2.571 . . . . 0.0 113.951 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -129.74 144.1 51.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.188 0.518 . . . . 0.0 111.569 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.72 39.91 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.497 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -134.09 171.36 14.32 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.88 150.54 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' HG2' HG22 ' B' ' 77' ' ' VAL . 31.7 mtm180 -108.27 105.79 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG11 ' HB1' ' B' ' 83' ' ' ALA . 31.5 m -96.14 126.66 48.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.552 0.691 . . . . 0.0 112.004 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -103.21 114.71 29.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.254 173.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HA ' ' OE2' ' B' ' 90' ' ' GLU . . . -124.5 159.88 29.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.746 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.736 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 45.0 t -78.21 112.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.561 ' HB2' HG22 ' B' ' 74' ' ' VAL . 75.2 mt -155.63 127.6 3.89 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HG3' ' CD2' ' B' ' 71' ' ' TYR . 53.2 Cg_exo -51.76 140.62 46.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.818 2.345 . . . . 0.0 112.204 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.69 -29.88 29.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.23 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -59.29 -32.64 70.22 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.2 mp0 -72.94 -27.16 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.691 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -58.49 -23.87 59.02 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.384 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.11 -48.27 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.297 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.72 -31.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.616 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 76.3 t -56.8 -47.35 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.151 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 90' ' ' GLU . 29.6 ttp180 -67.19 -21.09 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.202 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.98 -39.09 72.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.172 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 86' ' ' VAL . 10.3 m0 -75.11 -36.06 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.765 175.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.573 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 32.6 tt0 -58.23 -47.53 83.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.115 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.83 71.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.655 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -70.27 -40.69 74.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.27 -36.79 74.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.498 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -71.89 -30.47 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.608 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 34.1 ttpt -62.85 -19.78 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.857 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 96' ' ' LYS . 8.6 tppt? -60.46 -29.1 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.082 0.467 . . . . 0.0 110.355 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -91.22 -6.45 53.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -117.73 11.14 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.711 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m 72.02 -69.98 0.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.271 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 101' ' ' ARG . 72.3 tttt -160.31 146.7 15.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.755 0.312 . . . . 0.0 110.435 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.608 ' H ' ' HD2' ' A' ' 95' ' ' LYS . 44.9 mtt180 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.36 -0.828 . . . . 0.0 109.524 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.058 0.456 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -86.59 170.1 12.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.726 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -99.62 172.31 7.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.444 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.4 OUTLIER -99.02 166.95 11.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.312 0.577 . . . . 0.0 110.829 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.786 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 19.0 tp -125.44 158.64 33.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.432 -172.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.4 p -96.61 157.61 15.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.602 ' HG3' HG11 ' B' ' 32' ' ' VAL . 44.5 mt-10 -67.02 -21.09 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -67.53 -44.97 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.154 0.502 . . . . 0.0 110.057 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.5 ' HB3' ' CE1' ' B' ' 62' ' ' PHE . 17.1 mm-40 -77.76 -31.85 52.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.977 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 51.7 t80 -56.6 -45.65 81.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.268 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.78 -44.29 86.12 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.592 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.68 -41.85 98.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -61.01 -41.69 97.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.476 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 34.5 pt -84.51 -28.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.73 106.92 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.363 0.601 . . . . 0.0 111.0 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.35 -17.06 7.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.58 159.04 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.043 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.0 86.66 2.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.547 HG23 HD11 ' B' ' 24' ' ' ILE . 8.8 m -120.2 131.98 71.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.441 0.639 . . . . 0.0 111.227 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.69 139.95 37.79 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.516 177.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.546 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 63.7 tt0 -62.89 -23.22 67.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 -178.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.86 -50.78 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.387 . . . . 0.0 110.134 175.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.41 69.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.547 HD11 HG23 ' B' ' 19' ' ' VAL . 68.7 mt -61.28 -44.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.431 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.58 -28.14 69.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.708 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.589 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 68.2 mt -68.48 -50.94 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.416 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -67.27 -28.0 67.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.529 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -62.31 -37.48 85.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.41 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -106.84 -0.62 36.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.415 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' B' ' 26' ' ' ILE . 2.3 t -112.31 -52.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.809 -0.23 . . . . 0.0 110.873 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.423 ' CD2' HG23 ' B' ' 55' ' ' VAL . 18.6 mt -78.95 -34.33 44.48 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 122.123 -0.36 . . . . 0.0 111.574 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.602 HG11 ' HG3' ' B' ' 7' ' ' GLU . 21.8 t -95.79 -14.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.913 0.387 . . . . 0.0 112.02 -174.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.0 t70 -108.91 10.47 26.4 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.198 0.523 . . . . 0.0 112.319 -170.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 110.14 -3.97 30.04 Favored Glycine 0 C--N 1.323 -0.159 0 C-N-CA 119.648 -1.263 . . . . 0.0 113.845 173.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' B' ' 30' ' ' VAL . 62.0 tttm 69.73 63.37 0.53 Allowed Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 123.02 0.528 . . . . 0.0 111.95 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 81.2 Cg_endo -83.39 -36.16 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.233 1.955 . . . . 0.0 112.255 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 68.2 -72.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.785 0.834 . . . . 0.0 112.863 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.67 89.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 9.3 p -64.38 -40.77 96.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.316 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 27.5 t80 -67.1 -41.74 85.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -59.0 -45.52 90.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.804 177.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -70.45 -31.65 68.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -67.81 -52.89 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.451 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.25 -1.61 55.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.22 45.15 32.19 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.548 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 87.4 mt -99.48 159.39 15.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.164 0.507 . . . . 0.0 110.718 -176.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 3.2 m -77.58 155.05 31.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.873 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.33 -40.74 87.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.87 78.31 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.288 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.85 91.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 111.238 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' B' ' 41' ' ' ALA . 75.8 t -63.65 -47.03 93.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.642 ' HA ' HG12 ' B' ' 55' ' ' VAL . 59.3 m -66.18 -28.48 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.608 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 35.5 tt0 -65.13 -43.38 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.867 0.365 . . . . 0.0 110.301 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -40.61 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.676 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' B' ' 52' ' ' SER . 7.1 p -66.71 -39.87 84.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -66.15 -44.56 83.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.749 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.1 OUTLIER -64.52 -57.3 9.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.961 -174.664 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.57 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.404 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.786 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 48.0 t-105 -67.13 -42.97 83.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.547 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.32 75.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' B' ' 65' ' ' LYS . . . -64.75 -46.64 81.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.506 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.521 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 70.2 t80 -65.42 -38.92 91.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.979 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.66 -39.64 77.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 110.146 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -79.58 -31.96 41.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.395 0.617 . . . . 0.0 110.297 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' B' ' 61' ' ' ALA . 10.2 tptp -76.61 -5.77 49.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.17 -13.22 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp 66.81 101.59 0.04 OUTLIER Pre-proline 0 N--CA 1.471 0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.805 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.02 -6.9 3.3 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.807 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.13 116.95 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.827 0.346 . . . . 0.0 110.826 -174.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.56 31.53 0.22 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.453 ' CD2' ' HG3' ' A' ' 79' ' ' PRO . 90.9 m-85 -133.17 153.6 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.38 167.38 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 77' ' ' VAL . 77.8 mtm180 -103.91 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.3 m -87.99 143.06 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.138 0.494 . . . . 0.0 111.211 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.0 m -103.96 128.35 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.854 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' OE2' ' A' ' 90' ' ' GLU . . . -136.8 139.92 42.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.573 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.2 t -77.95 121.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.547 HD12 ' HD2' ' B' ' 79' ' ' PRO . 45.6 tp -169.61 126.7 0.79 Allowed Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' B' ' 78' ' ' LEU . 53.1 Cg_exo -56.56 146.54 74.9 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.928 2.419 . . . . 0.0 112.225 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' GLU . . . . . 0.785 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -60.23 -19.9 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.876 -172.774 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -56.07 -58.64 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -73.54 -30.79 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.785 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -63.02 -23.51 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.413 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -52.46 -46.9 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.428 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.45 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.9 mt -75.65 -33.15 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 -177.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.5 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 60.6 t -63.28 -32.31 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 87' ' ' ARG . 19.2 ttt180 -62.81 -36.33 82.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.187 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.14 -42.9 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.216 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 22.3 m0 -64.83 -31.49 72.74 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.736 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 34.1 tt0 -61.63 -50.51 72.27 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 110.255 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.12 73.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.97 -44.82 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.065 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.1 74.52 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -72.64 -39.75 66.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.662 ' HG3' ' H ' ' B' ' 101' ' ' ARG . 38.1 ttpt -55.41 -36.9 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.955 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -57.52 -32.63 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.816 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -96.27 -37.58 10.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.009 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.71 30.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.458 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 28.5 m 71.6 -73.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.567 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.591 ' HA ' ' HG3' ' B' ' 95' ' ' LYS . 87.3 tttt -166.07 136.13 3.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 120.7 0.286 . . . . 0.0 110.576 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ARG . . . . . 0.662 ' H ' ' HG3' ' B' ' 95' ' ' LYS . 93.0 mtt180 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.636 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -84.41 107.73 16.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.826 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -90.36 166.26 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.727 ' HE ' ' HA3' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -109.44 159.78 16.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 0.0 110.331 -177.334 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 4.2 tp -125.92 150.57 47.86 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.444 -175.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 165.58 14.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.64 -27.54 68.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.794 0.331 . . . . 0.0 111.553 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -51.99 66.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.726 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 12.1 mt-30 -78.19 -22.83 48.03 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 14' ' ' ILE . 6.5 t80 -63.95 -44.13 93.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -67.91 -31.34 71.05 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.04 -37.11 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.19 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.757 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 10' ' ' PHE . 30.3 pt -75.63 -41.36 41.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.912 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 44.46 -106.2 0.1 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.937 0.895 . . . . 0.0 112.711 175.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -126.83 30.64 4.13 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -67.16 152.07 46.41 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.801 0.441 . . . . 0.0 110.726 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 84.39 7.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.856 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.434 HG11 ' HG2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -137.99 141.4 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.56 146.11 43.26 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.779 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.599 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -65.72 -21.02 66.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.81 -44.51 89.66 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.761 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -35.69 77.76 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 177.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 21' ' ' GLN . 67.2 mt -64.87 -39.78 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.979 0.418 . . . . 0.0 110.467 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.21 -26.08 64.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.565 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 23' ' ' THR . 53.0 mt -68.04 -50.32 59.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.7 66.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.595 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.8 ttm180 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.626 175.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.15 -16.2 33.44 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.576 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 1.1 t -96.89 -46.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.763 0.316 . . . . 0.0 110.71 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.582 HD13 HG23 ' A' ' 55' ' ' VAL . 10.2 tp -95.98 -46.46 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.551 -175.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.595 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.1 t -69.32 -45.58 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.67 -33.65 46.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.727 ' HA3' ' HE ' ' A' ' 4' ' ' ARG . . . 87.02 51.13 3.46 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.101 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 14.8 mttp -109.96 148.94 39.29 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.195 . . . . 0.0 110.998 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 27.9 Cg_exo -62.32 140.04 80.58 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 111.905 176.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.63 -32.41 67.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.025 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.45 98.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.601 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.474 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -33.39 75.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.223 -175.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -62.76 -55.7 24.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -71.06 -26.44 63.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -71.94 -36.6 69.96 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -95.4 -7.05 39.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.691 0.281 . . . . 0.0 111.461 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.67 70.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.884 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.5 169.96 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 p -83.5 155.44 23.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HG2' ' H ' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -65.64 -27.61 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.624 0.249 . . . . 0.0 110.494 176.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 -42.02 72.35 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.861 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.22 74.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.553 ' HA ' HG21 ' A' ' 26' ' ' ILE . 55.7 t -69.72 -42.03 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -72.11 -22.41 61.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -70.38 -34.31 72.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.744 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.47 -44.16 65.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.677 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.582 HG23 HD13 ' A' ' 31' ' ' LEU . 2.9 p -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -49.65 68.19 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.996 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG2' HG11 ' A' ' 19' ' ' VAL . 7.7 tpt85 -64.42 -49.24 72.3 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.56 -44.41 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.251 0.344 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.503 ' CE3' HD11 ' A' ' 31' ' ' LEU . 27.7 t-105 -61.06 -47.3 86.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.441 177.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.47 71.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.27 77.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.511 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -66.45 -40.33 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.608 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.69 -34.34 71.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.57 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.42 -40.56 85.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -11.39 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.992 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.88 19.17 20.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.22 96.36 38.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -91.42 23.67 0.6 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.334 2.689 . . . . 0.0 112.202 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tt0 -133.04 -158.97 0.93 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.223 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.34 31.5 3.25 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 6.8 m-85 -112.72 119.33 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -177.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.61 163.77 27.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.956 0.408 . . . . 0.0 110.713 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -127.62 125.24 39.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' B' ' 83' ' ' ALA . 10.3 m -86.15 133.26 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.21 0.529 . . . . 0.0 111.107 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.78 112.9 13.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.317 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.21 159.34 42.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.983 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -82.12 109.04 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' B' ' 93' ' ' ALA . 0.2 OUTLIER -160.34 144.9 10.75 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -177.772 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.497 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 30.8 Cg_endo -64.01 155.45 64.46 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.431 2.087 . . . . 0.0 112.956 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -19.82 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.652 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.2 86.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.176 0.513 . . . . 0.0 110.227 174.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -26.75 61.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.312 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -59.42 -23.08 62.35 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.829 0.451 . . . . 0.0 112.213 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -52.68 -47.08 67.43 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.478 0.486 . . . . 0.0 110.489 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.91 -27.75 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.072 -178.393 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.02 -36.97 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.692 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -30.59 67.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 110.732 176.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -35.97 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 175.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -75.26 -22.12 58.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.941 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.911 ' HB2' ' HB1' ' B' ' 76' ' ' ALA . 0.4 OUTLIER -65.89 -43.86 87.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.167 0.508 . . . . 0.0 109.821 176.298 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.03 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.828 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.0 -31.52 44.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' B' ' 79' ' ' PRO . . . -70.52 -39.75 73.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 175.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -24.91 64.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.926 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.508 ' HA ' ' HB2' ' A' ' 98' ' ' GLU . 1.7 ttpm? -71.98 -21.28 61.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.548 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.382 . . . . 0.0 110.813 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.23 5.51 23.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . 4.1 tt0 -90.16 141.48 28.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.686 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.83 79.75 9.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.75 175.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -75.36 100.28 4.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.238 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 . . . . . 0 C--O 1.246 0.888 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.535 177.269 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.485 0.66 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 125.95 52.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.422 -178.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.11 128.75 36.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.227 177.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.717 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -111.19 174.31 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.971 -178.773 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 9' ' ' GLN . 3.6 tp -121.08 156.96 31.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.59 164.08 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HG3' HG11 ' B' ' 32' ' ' VAL . 4.0 mp0 -66.49 -29.34 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.644 0.259 . . . . 0.0 110.91 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.91 86.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.514 ' HB3' ' HG ' ' B' ' 5' ' ' LEU . 1.5 mp0 -78.31 -25.78 46.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.015 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.413 ' O ' HG12 ' B' ' 14' ' ' ILE . 67.2 t80 -64.55 -47.27 79.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 174.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -26.66 65.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.024 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.56 -38.75 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.677 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.45 -45.94 64.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.492 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.413 HG12 ' O ' ' B' ' 10' ' ' PHE . 10.0 pt -78.14 -37.54 22.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.525 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.5 OUTLIER 39.52 -111.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.275 1.03 . . . . 0.0 112.819 178.254 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -119.67 35.94 3.66 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 17' ' ' LEU . 2.5 mm? -80.87 166.82 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -93.78 84.73 4.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.15 0.5 . . . . 0.0 110.21 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.27 132.39 71.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.016 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.85 136.37 41.09 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.113 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.4 tt0 -67.62 -18.11 64.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.32 -46.79 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.669 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.13 -32.89 74.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.921 176.352 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' B' ' 21' ' ' GLN . 90.2 mt -64.67 -37.03 79.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.434 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.73 -30.04 63.84 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.636 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' B' ' 23' ' ' THR . 18.9 mt -71.43 -49.85 44.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.27 -19.52 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.595 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.2 ttm-85 -62.04 -29.7 70.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.107 176.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.67 -38.17 1.94 Allowed Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.018 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' B' ' 55' ' ' VAL . 2.4 t -73.68 -41.27 55.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.825 0.45 . . . . 0.0 111.358 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.536 HD11 ' HE3' ' B' ' 59' ' ' TRP . 1.3 tt -94.24 -45.96 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.461 -176.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 88.4 t -71.32 -54.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.391 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.45 -20.41 36.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.116 0.484 . . . . 0.0 110.391 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.717 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 78.23 48.02 7.84 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.667 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.07 138.98 27.23 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.703 -0.249 . . . . 0.0 110.849 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.24 134.31 58.29 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.248 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -71.74 -27.59 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.79 -172.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.398 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -41.89 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.41 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -33.52 75.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.547 -177.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.522 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.9 -50.47 68.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.255 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -31.53 68.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.8 m -71.76 -39.83 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.419 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.69 -22.02 28.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.85 24.17 42.88 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.93 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.87 170.73 7.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.1 155.51 34.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 110.603 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.16 -35.9 78.71 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.365 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.5 75.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.573 ' HA ' HG21 ' B' ' 26' ' ' ILE . 76.4 t -68.8 -40.66 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 52.0 m -73.85 -21.51 60.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.29 72.09 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.86 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.685 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.457 ' HB ' ' CG1' ' B' ' 30' ' ' VAL . 9.9 p -66.99 -36.63 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -39.54 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.887 178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.06 10.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.404 ' HB ' HD13 ' B' ' 31' ' ' LEU . 79.3 t -66.85 -37.67 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.687 0.28 . . . . 0.0 110.803 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.536 ' HE3' HD11 ' B' ' 31' ' ' LEU . 23.6 t-105 -63.03 -41.07 99.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 175.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.64 70.85 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.371 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 -38.07 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.43 -38.33 77.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.823 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.13 -37.96 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.126 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' B' ' 67' ' ' LEU . 5.3 t70 -67.54 -38.29 83.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.816 177.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -38.26 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.54 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.09 46.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.221 0.534 . . . . 0.0 110.603 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 64' ' ' ASP . 0.2 OUTLIER -103.98 101.81 27.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.987 176.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.73 -37.79 2.07 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.898 2.399 . . . . 0.0 112.637 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -103.41 87.18 2.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.584 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.74 -5.06 57.78 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -99.0 158.08 15.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.944 -0.628 . . . . 0.0 110.319 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.89 167.28 24.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 118.96 28.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.981 0.419 . . . . 0.0 110.385 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 83' ' ' ALA . 16.5 m -86.38 135.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.695 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -132.5 124.58 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.911 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -152.31 168.1 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.085 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.743 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 12.4 t -86.55 109.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.477 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -157.01 142.26 12.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.419 -179.126 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 93' ' ' ALA . 23.5 Cg_exo -65.39 155.96 65.9 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.666 2.244 . . . . 0.0 112.802 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -18.75 63.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.225 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -62.68 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.218 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.416 ' O ' HG23 ' B' ' 86' ' ' VAL . 5.1 mp0 -72.67 -27.96 62.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.86 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.525 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -63.76 -22.07 66.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.138 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.45 -44.77 65.72 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.199 173.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.416 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.89 -31.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.211 -178.028 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 82' ' ' GLN . 13.6 t -68.47 -34.52 66.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.912 0.387 . . . . 0.0 110.983 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtm105 -70.01 -27.46 64.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -35.31 65.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 174.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -72.79 -18.04 61.52 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.417 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.44 -46.33 80.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.372 0.606 . . . . 0.0 111.291 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.59 -29.44 65.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.147 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' B' ' 95' ' ' LYS . 0.1 OUTLIER -75.68 -26.19 57.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.417 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.497 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.511 174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -74.62 -28.35 60.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.495 ' HG2' ' HB2' ' B' ' 100' ' ' LYS . 39.2 mtpt -69.86 -11.02 60.55 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.008 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -22.29 56.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.13 0.49 . . . . 0.0 110.598 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -110.14 -38.37 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.433 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.51 176.4 6.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.659 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.25 98.85 5.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.065 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.495 ' HB2' ' HG2' ' B' ' 95' ' ' LYS . 0.0 OUTLIER -79.02 116.22 19.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.635 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.637 176.41 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.06 0.457 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.46 158.31 41.18 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -67.1 149.69 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.379 0.424 . . . . 0.0 110.043 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.624 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 66.7 mtt180 -94.65 151.94 18.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.087 0.47 . . . . 0.0 110.698 -175.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 5' ' ' LEU . 2.8 tp -117.72 148.93 41.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.58 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.93 162.78 18.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -61.71 -32.23 72.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.213 0.321 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -36.75 73.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -78.01 -36.42 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.672 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE1' HG11 ' A' ' 58' ' ' VAL . 76.2 t80 -66.34 -45.63 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.83 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -67.64 -26.27 66.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.4 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -32.77 68.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.75 -47.36 26.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.446 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.88 -8.77 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 1.7 tm0? -68.55 -34.15 75.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.83 7.98 76.66 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.85 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -120.2 158.2 27.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.353 -176.596 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.85 85.28 2.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.225 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.51 169.57 11.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.517 177.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.68 141.94 48.13 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.617 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -25.73 66.66 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -176.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -66.4 -42.85 87.21 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.756 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -68.44 -37.05 79.88 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.52 -41.85 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.906 0.384 . . . . 0.0 110.414 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -66.82 -25.62 66.53 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 23' ' ' THR . 48.5 mt -66.48 -50.77 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -70.38 -20.06 62.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.363 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 5.6 ttp180 -64.72 -29.82 70.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.101 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . -108.13 -22.79 7.01 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.184 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.811 HG11 HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.57 -42.65 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.842 0.353 . . . . 0.0 111.009 -176.647 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 64.8 mt -95.24 -47.47 6.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.518 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 44.2 t -64.5 -43.35 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 120.77 0.319 . . . . 0.0 111.589 -177.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.15 -18.09 29.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.018 0.437 . . . . 0.0 110.496 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.624 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 74.81 46.17 18.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.93 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -99.91 149.93 36.4 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.483 -0.358 . . . . 0.0 110.72 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 24.6 Cg_exo -64.29 144.13 85.29 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.711 2.274 . . . . 0.0 112.206 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.857 ' HG2' HG21 ' A' ' 55' ' ' VAL . 2.1 mp0 -72.99 -29.59 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.475 -175.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.34 84.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.416 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.87 -46.37 89.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -33.77 72.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.791 -173.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.775 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -67.08 -52.69 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.553 -176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -26.11 59.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.148 -176.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.0 m -73.72 -41.27 62.79 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -84.34 -18.55 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.94 0.4 . . . . 0.0 111.18 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.99 19.22 56.44 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.403 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.66 176.23 6.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.0 154.95 24.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.25 81.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.618 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -68.65 -26.41 74.47 Favored Glycine 0 N--CA 1.45 -0.408 0 O-C-N 123.885 0.741 . . . . 0.0 113.396 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.79 59.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.878 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' A' ' 41' ' ' ALA . 44.0 t -71.79 -41.44 70.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.662 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 p -69.32 -28.54 66.34 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.749 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 2.1 tm0? -65.73 -38.71 89.9 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.851 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.756 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -64.83 -35.32 80.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.857 HG21 ' HG2' ' A' ' 37' ' ' GLN . 10.7 t -59.92 -52.32 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -35.09 79.5 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.198 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -57.77 -52.57 64.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.879 0.472 . . . . 0.0 111.668 -177.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.4 t -78.21 -35.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.779 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -65.48 -41.13 93.64 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.77 75.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.62 0.248 . . . . 0.0 111.073 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.605 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.42 -41.4 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.348 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.48 -31.26 71.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.685 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -33.46 65.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.19 0.519 . . . . 0.0 110.303 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -83.56 2.54 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.688 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.14 26.88 8.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.344 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.12 99.38 50.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.524 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -87.32 159.5 8.25 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.241 2.627 . . . . 0.0 112.678 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.59 117.78 34.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.503 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.45 -57.75 2.7 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' HB3' HE22 ' A' ' 97' ' ' GLN . 5.1 p90 -113.26 135.96 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.615 0.245 . . . . 0.0 110.554 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.9 39.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.159 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' B' ' 77' ' ' VAL . 17.1 mtm180 -82.82 105.95 14.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' B' ' 83' ' ' ALA . 33.2 m -92.39 140.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.243 0.544 . . . . 0.0 111.161 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.91 126.45 47.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.94 44.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.034 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -79.05 110.14 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.649 ' HG ' ' HB2' ' B' ' 93' ' ' ALA . 0.2 OUTLIER -150.32 142.59 15.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.828 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 15.1 Cg_exo -67.96 160.86 46.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.471 2.114 . . . . 0.0 112.625 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.73 -20.25 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -44.0 91.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.042 0.449 . . . . 0.0 109.936 172.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -26.6 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.996 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.11 -23.14 65.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.125 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -54.62 -46.89 73.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.257 0.551 . . . . 0.0 110.249 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -30.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.802 -178.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -66.01 -33.86 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -63.23 -38.08 89.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.74 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.19 -32.99 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.708 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -69.36 -26.86 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.147 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.57 -43.91 95.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.01 72.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.007 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.22 -38.41 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.801 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.708 ' HB1' ' HD3' ' B' ' 79' ' ' PRO . . . -64.99 -38.13 89.96 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.585 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -71.3 -36.33 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.261 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -9.21 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.608 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.16 -16.81 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.344 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.51 HE22 ' HB3' ' A' ' 71' ' ' TYR . 33.9 mt-30 -113.3 -21.57 10.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.377 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.17 141.93 28.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.526 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m 55.17 59.46 3.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.922 0.868 . . . . 0.0 111.343 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.51 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 19.4 mmtm -118.66 101.42 8.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 101' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.705 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.487 ' HG2' ' HA ' ' B' ' 36' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' B' ' 2' ' ' LYS . 6.4 tptt 68.86 178.34 0.25 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.187 0.929 . . . . 0.0 111.174 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -81.19 123.89 28.82 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.641 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.1 OUTLIER -95.86 164.39 12.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.064 0.459 . . . . 0.0 111.335 -173.225 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tp -137.69 164.83 27.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.56 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.7 p -95.4 165.38 12.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -32.18 73.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 111.093 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.68 80.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -75.16 -31.46 61.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -62.62 -47.68 82.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -68.98 -26.61 65.12 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.762 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -33.01 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.87 -39.48 61.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.83 8.26 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -58.88 2.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.138 0.975 . . . . 0.0 113.351 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.84 20.15 29.57 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.1 OUTLIER -95.19 92.11 6.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.256 0.551 . . . . 0.0 110.602 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.75 84.45 5.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.95 0.881 . . . . 0.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.03 -163.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.005 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 130.49 23.9 Favored Glycine 0 C--N 1.316 -0.54 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.603 ' HA ' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -73.07 -20.35 60.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.172 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -36.02 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.496 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.825 HG22 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -68.63 -35.69 77.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 174.114 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 21' ' ' GLN . 58.2 mt -67.68 -35.33 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.996 0.427 . . . . 0.0 109.939 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.21 -27.19 67.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.213 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 23' ' ' THR . 51.8 mt -65.76 -49.97 73.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.62 -23.3 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.717 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.593 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 8.8 ttt180 -66.37 -30.01 70.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.214 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.34 -38.99 2.91 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.017 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.851 HG11 HG22 ' B' ' 55' ' ' VAL . 1.3 t -70.0 -43.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 122.948 0.499 . . . . 0.0 111.551 -175.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.495 ' HG ' HG12 ' B' ' 30' ' ' VAL . 83.8 mt -98.0 -47.26 5.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.637 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 57.8 t -67.12 -48.92 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.432 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.46 -27.23 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 110.283 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.641 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 84.22 43.87 6.87 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.714 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.514 ' HE3' ' HD2' ' B' ' 36' ' ' PRO . 15.5 mmmt -93.43 145.27 29.68 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.287 . . . . 0.0 111.67 -175.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' HE3' ' B' ' 35' ' ' LYS . 10.6 Cg_endo -55.83 137.04 77.42 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.515 2.81 . . . . 0.0 112.734 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.624 ' HG2' HG21 ' B' ' 55' ' ' VAL . 2.7 mp0 -76.82 -26.94 54.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.993 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.23 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.564 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -37.0 82.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.482 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -66.35 -34.06 77.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.147 -177.593 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.669 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.63 -44.7 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.18 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -34.47 75.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.718 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.0 m -70.33 -44.64 67.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.83 -17.21 38.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 111.644 -175.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.73 14.3 73.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.616 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.69 161.91 14.7 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.68 156.34 36.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -58.44 -38.43 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.279 0.362 . . . . 0.0 111.175 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.03 94.21 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.788 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.48 71.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.212 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' B' ' 41' ' ' ALA . 40.7 t -69.11 -46.01 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.341 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -70.21 -18.61 63.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.546 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -36.74 77.48 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.357 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.825 ' HB2' HG22 ' B' ' 23' ' ' THR . . . -68.87 -40.6 79.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.851 HG22 HG11 ' B' ' 30' ' ' VAL . 12.8 t -57.28 -51.6 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.247 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -65.73 -43.23 89.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.165 -177.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' B' ' 57' ' ' ARG . 0.5 OUTLIER -68.1 -45.63 73.19 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.45 -40.31 79.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 110.468 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -65.86 -36.92 84.8 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.923 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.67 81.92 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.262 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.71 77.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.034 0.445 . . . . 0.0 110.675 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.07 -44.24 69.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 178.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.96 -32.0 68.74 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.448 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -65.89 -40.0 91.15 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 110.421 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -75.4 -16.92 60.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.176 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -111.21 32.33 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.89 83.75 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.76 143.35 18.57 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.921 2.414 . . . . 0.0 111.672 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.67 141.32 36.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.427 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.05 -20.51 57.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.494 ' HE1' ' HA ' ' B' ' 94' ' ' LYS . 12.2 m-85 -122.72 118.38 27.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.173 0.511 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.63 166.18 11.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.361 175.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.45 111.92 17.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.164 0.507 . . . . 0.0 109.892 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 78' ' ' LEU . 34.2 m -86.22 131.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.345 0.593 . . . . 0.0 110.265 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.42 115.13 21.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.278 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.04 150.37 44.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.654 HG22 ' HG2' ' A' ' 73' ' ' ARG . 15.7 t -78.78 110.4 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.567 ' HA ' ' HB1' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -138.08 149.65 64.52 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.926 -176.028 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.708 ' HD3' ' HB1' ' A' ' 93' ' ' ALA . 21.6 Cg_exo -67.38 154.44 73.89 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.184 1.923 . . . . 0.0 111.419 172.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -67.49 -22.2 65.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.81 -175.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -63.13 -49.06 75.89 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.313 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -72.48 -28.72 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.08 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.516 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -64.99 -23.51 67.24 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.098 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -55.81 -48.34 75.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.161 0.505 . . . . 0.0 110.108 173.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.422 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.2 OUTLIER -77.11 -26.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.823 -178.231 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 53.4 t -68.06 -35.81 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -36.71 83.9 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.814 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.56 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.525 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -73.34 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.381 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -43.62 98.43 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.275 0.559 . . . . 0.0 109.923 172.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.98 61.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.453 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.52 -40.36 92.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.862 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.828 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -67.93 -32.75 73.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.467 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.494 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 5.1 mttp -69.46 -47.27 64.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.193 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -9.06 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.727 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -74.2 -22.66 59.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -112.45 -28.76 7.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.746 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.55 131.88 39.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.972 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 46.26 67.94 0.68 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.454 1.102 . . . . 0.0 113.12 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -121.04 111.0 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.158 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mmm . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.221 0.534 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -137.97 74.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.513 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.92 157.92 22.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.564 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -135.3 144.87 47.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.383 175.286 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.8 tp -92.82 155.85 17.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.413 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 p -91.53 153.21 19.93 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.15 -27.08 68.48 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.487 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -65.74 -45.54 82.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.81 0.338 . . . . 0.0 110.556 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -78.32 -23.37 47.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.48 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CE2' HG23 ' A' ' 24' ' ' ILE . 64.0 t80 -58.32 -46.7 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.306 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -46.45 64.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.791 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.77 -46.47 89.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.058 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -59.51 -48.9 79.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.036 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.9 pt -82.48 -14.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.973 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -52.4 -48.54 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.053 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.46 6.22 82.35 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.311 -174.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 13' ' ' ALA . 3.8 mm? -115.1 147.33 40.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 111.581 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.85 84.65 6.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.67 HG23 HD11 ' A' ' 24' ' ' ILE . 4.0 m -115.7 134.12 59.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.073 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.46 35.11 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.467 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 36.7 mt-30 -61.28 -25.97 67.46 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' ILE . 34.7 tt0 -59.43 -51.37 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 174.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -63.67 -37.83 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.114 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.67 HD11 HG23 ' A' ' 19' ' ' VAL . 70.6 mt -60.69 -48.03 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.318 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.36 -26.76 68.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.527 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 87.1 mt -69.67 -50.99 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.44 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.798 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.755 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 37.6 ttt180 -63.29 -27.97 69.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.965 0.412 . . . . 0.0 110.926 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -109.22 -40.45 1.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.766 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 t -71.89 -40.94 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 C-N-CA 122.779 0.432 . . . . 0.0 111.406 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.722 HD13 HG23 ' A' ' 55' ' ' VAL . 54.9 tp -100.88 -32.77 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.838 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.755 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 78.4 t -82.69 -46.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 111.328 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.1 t70 -84.91 -22.18 29.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.43 0.633 . . . . 0.0 109.574 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 83.38 28.7 35.44 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.006 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 66.4 mttm -76.2 137.78 68.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.903 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -57.05 135.82 73.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.67 2.246 . . . . 0.0 111.135 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -57.46 -31.93 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.642 -169.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.57 87.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.406 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -49.19 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.784 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 1.9 t80 -72.74 -34.01 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.037 -176.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.72 86.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.083 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 -27.4 65.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.165 0.507 . . . . 0.0 111.086 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -78.39 -55.96 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' A' ' 46' ' ' LEU . 11.1 mp -79.68 -27.44 40.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.37 -0.38 59.93 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.213 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 44' ' ' LEU . 8.6 mp -77.97 149.48 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 p -71.31 159.69 34.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.725 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -54.84 -39.27 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.542 0.21 . . . . 0.0 110.705 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.86 -40.79 97.25 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.58 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.37 80.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.169 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.94 -36.83 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.638 ' HA ' HG12 ' A' ' 55' ' ' VAL . 39.1 m -72.14 -23.45 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.019 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.76 -38.86 92.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 0.0 109.856 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.8 -48.81 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.421 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.722 HG23 HD13 ' A' ' 31' ' ' LEU . 7.1 p -65.79 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.693 -177.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -66.3 -49.67 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -63.56 -51.9 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.414 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.06 -45.59 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 110.84 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CE3' HD11 ' A' ' 31' ' ' LEU . 72.3 t-105 -61.79 -49.57 75.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.24 84.79 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 56.5 t80 -76.99 -41.17 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 110.187 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.72 -37.91 83.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -28.38 68.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.478 . . . . 0.0 110.638 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -78.18 -6.53 55.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 6.4 t30 -84.38 -11.24 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm? 71.4 99.24 0.04 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.15 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.33 135.44 46.49 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.723 2.282 . . . . 0.0 111.582 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.687 ' HG3' ' HD2' ' A' ' 71' ' ' TYR . 43.7 tt0 -79.23 87.56 4.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.269 0.557 . . . . 0.0 110.553 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.42 24.24 28.38 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.047 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.687 ' HD2' ' HG3' ' A' ' 69' ' ' GLU . 90.7 m-85 -78.54 149.53 33.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.49 161.99 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.93 0.395 . . . . 0.0 110.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -128.77 131.26 47.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.59 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.821 HG12 ' HB2' ' B' ' 83' ' ' ALA . 31.9 m -88.56 141.46 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.258 0.552 . . . . 0.0 111.042 -177.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -136.89 130.83 32.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.74 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -156.54 150.65 25.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.523 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 2.7 m -78.68 127.28 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 174.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' HD2' ' A' ' 79' ' ' PRO . 1.7 tt -168.1 129.97 1.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.692 ' HD2' HD23 ' A' ' 78' ' ' LEU . 73.1 Cg_exo -37.93 133.32 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.972 3.114 . . . . 0.0 114.585 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.46 -27.88 66.49 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.039 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.18 -37.94 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -72.45 -25.81 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.329 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -53.75 -23.44 11.86 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 52.6 t80 -52.08 -49.13 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.242 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.408 ' H ' HG13 ' A' ' 85' ' ' ILE . 2.6 mt -75.29 -26.73 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.013 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.569 HG11 ' HB ' ' B' ' 74' ' ' VAL . 64.8 t -66.65 -39.96 85.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -68.04 -23.44 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.175 0.512 . . . . 0.0 110.492 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 84' ' ' TYR . 74.6 mmtt -80.79 -44.69 18.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.202 177.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -62.16 -38.08 87.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.855 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.3 tt0 -59.08 -46.65 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.312 0.577 . . . . 0.0 110.354 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.11 66.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.562 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -74.57 -40.56 61.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.661 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.18 77.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 110.665 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 109.959 177.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 27.0 ttpt -72.02 -30.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.416 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.12 -26.94 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.17 0.51 . . . . 0.0 110.121 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -72.76 -36.29 67.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.333 171.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' HG3' ' HE2' ' A' ' 100' ' ' LYS . 35.8 tt0 56.14 91.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 122.108 0.956 . . . . 0.0 112.012 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -89.81 37.75 0.89 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.161 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' HE2' ' HG3' ' A' ' 98' ' ' GLU . 50.6 mtmt -101.38 99.22 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.193 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.897 -177.237 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.59 151.07 51.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.47 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -142.07 160.98 39.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.474 ' HB3' ' CA ' ' B' ' 34' ' ' GLY . 3.6 ppt_? -145.78 143.24 29.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.43 0.633 . . . . 0.0 110.914 170.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.709 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 14.6 tp -105.68 160.83 14.9 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.804 -170.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -83.89 153.52 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 35.3 tt0 -66.93 -23.7 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.654 -174.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.5 m -64.0 -49.44 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -75.44 -28.95 59.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.035 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.524 ' O ' HG12 ' B' ' 14' ' ' ILE . 86.9 t80 -59.26 -46.29 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.58 173.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -45.13 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.455 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.26 -42.91 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.671 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.37 55.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.563 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.524 HG12 ' O ' ' B' ' 10' ' ' PHE . 32.0 pt -69.96 -18.58 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -56.82 -30.35 63.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.153 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.01 35.43 4.94 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' B' ' 61' ' ' ALA . 2.5 mm? -129.54 143.92 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 110.765 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -114.97 83.92 1.99 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.21 146.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.45 -172.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.03 142.8 43.9 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.52 175.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.94 -29.56 4.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.16 -40.73 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.361 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.56 HG23 ' HA ' ' B' ' 54' ' ' ALA . 6.8 m -64.48 -44.46 90.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.554 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.39 -41.92 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.04 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.29 -40.66 91.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.607 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' B' ' 51' ' ' VAL . 74.4 mt -71.56 -48.15 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.52 . . . . 0.0 110.132 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -62.7 -27.77 69.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.671 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.716 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 67.2 ttt180 -61.76 -27.52 68.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.958 0.409 . . . . 0.0 111.025 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.05 -40.69 1.51 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.842 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.97 -38.32 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 120.984 0.421 . . . . 0.0 111.208 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.6 tt -98.02 -40.61 8.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 84.5 t -79.19 -51.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 32.0 t70 -81.94 -24.16 35.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.57 0.7 . . . . 0.0 110.189 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' B' ' 4' ' ' ARG . . . 78.31 41.33 17.31 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.982 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -78.58 148.17 72.82 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.609 0.242 . . . . 0.0 110.538 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.51 118.1 4.92 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.387 2.058 . . . . 0.0 110.573 172.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -53.46 -40.74 65.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.672 -170.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 111.151 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.9 m -66.96 -44.37 80.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' PHE . . . . . 0.41 ' HE2' HG12 ' B' ' 26' ' ' ILE . 29.0 t80 -65.47 -40.59 93.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.415 0.626 . . . . 0.0 109.431 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.56 89.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.097 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.3 m -70.38 -32.37 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.919 0.39 . . . . 0.0 111.233 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -66.39 -52.27 48.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' B' ' 46' ' ' LEU . 9.2 mp -83.82 -33.58 24.88 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.49 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.05 -3.68 33.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.221 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' B' ' 44' ' ' LEU . 8.0 mp -71.82 147.23 47.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 156.32 39.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -53.17 -43.56 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.575 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -54.31 -38.59 62.41 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.707 -0.678 . . . . 0.0 113.181 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.09 -40.47 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.926 0.363 . . . . 0.0 111.062 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' B' ' 26' ' ' ILE . 70.9 t -68.35 -50.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m -68.93 -21.99 64.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 49.4 tt0 -66.54 -39.12 88.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.56 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.81 -44.64 85.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.577 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.05 -38.68 82.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.21 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -66.29 -47.34 73.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.263 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 57' ' ' ARG . 9.7 tpt180 -57.23 -50.52 72.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.345 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.0 -46.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.423 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.709 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 65.2 t-105 -62.26 -49.39 75.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.218 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.34 74.71 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' B' ' 17' ' ' LEU . . . -60.68 -46.29 90.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.937 0.398 . . . . 0.0 111.013 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.09 -46.14 88.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.857 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.07 -38.78 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.276 -177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.03 -31.42 67.89 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.645 0.26 . . . . 0.0 111.475 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -66.68 -11.23 53.17 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 8.4 t30 -84.63 -10.74 57.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.03 0.443 . . . . 0.0 110.104 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' B' ' 66' ' ' ASN . 4.0 mm? 72.28 97.87 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.385 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.482 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 142.15 96.02 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.933 2.422 . . . . 0.0 111.43 174.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.68 100.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.798 -175.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.56 38.89 2.95 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -125.87 118.47 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 110.629 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.9 166.09 17.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.071 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 35.8 ptt180 -107.02 130.71 54.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.3 0.572 . . . . 0.0 110.231 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.569 ' HB ' HG11 ' A' ' 86' ' ' VAL . 17.0 m -85.39 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.474 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.7 m -125.49 130.6 52.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.154 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.63 152.39 36.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.855 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.5 t -78.74 109.95 13.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.538 ' HB2' HG22 ' A' ' 74' ' ' VAL . 41.7 mt -153.25 139.87 12.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.392 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.8 Cg_exo -63.35 155.37 62.47 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.425 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -53.73 -30.0 42.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.817 -173.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' HIS . . . . . 0.449 ' O ' ' HB3' ' B' ' 84' ' ' TYR . 21.9 m-70 -58.35 -33.1 69.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.522 ' O ' HG23 ' B' ' 86' ' ' VAL . 28.4 mm-40 -72.83 -46.72 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.6 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -60.63 -27.05 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' B' ' 81' ' ' HIS . 54.9 t80 -51.39 -43.35 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.436 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.1 mt -85.07 -37.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.587 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.565 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 83.4 t -58.54 -36.52 59.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.567 -175.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' B' ' 83' ' ' ALA . 50.6 mtt180 -60.57 -31.29 70.42 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -78.03 -26.04 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.564 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -77.41 -38.44 49.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 109.692 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.665 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 39.5 tt0 -60.28 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.952 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.82 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.474 ' HA ' ' HE3' ' B' ' 95' ' ' LYS . 13.8 t70 -76.79 -36.98 56.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.404 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.27 70.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -68.53 -37.12 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.474 ' HE3' ' HA ' ' B' ' 92' ' ' ASP . 27.0 ttpp -69.78 -11.33 60.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.998 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -63.61 -34.75 78.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.095 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -86.64 3.29 45.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.276 0.56 . . . . 0.0 109.785 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 63.68 130.4 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.288 -1.323 . . . . 0.0 113.581 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -108.25 -3.0 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.631 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -114.83 159.32 20.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.494 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' B' ' 101' ' ' ARG . 29.2 mmt180 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.112 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.767 0.317 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 109.67 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.456 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 1.5 tttp -161.76 -178.3 6.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.793 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -108.16 155.33 20.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.018 0.437 . . . . 0.0 110.428 177.852 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.542 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 7.4 tp -134.53 166.76 22.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.827 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 163.58 12.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 172.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.75 -23.18 67.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.648 0.261 . . . . 0.0 111.466 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -45.58 82.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.083 0.468 . . . . 0.0 110.956 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.542 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 11.1 mp0 -78.47 -24.5 45.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.435 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.64 ' HE1' HG23 ' A' ' 24' ' ' ILE . 16.2 t80 -62.66 -53.7 50.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.68 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -64.95 -27.18 68.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.133 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.01 -32.31 65.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.976 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.11 -43.31 53.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.776 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -79.44 2.96 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.91 -52.75 64.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.98 0.512 . . . . 0.0 112.284 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.15 42.41 1.95 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.054 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.12 144.91 50.92 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.855 0.359 . . . . 0.0 110.765 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.22 83.53 4.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 173.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.37 126.51 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.907 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.11 169.95 55.04 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.744 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.092 0.557 . . . . 0.0 112.472 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.12 -47.12 75.17 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.296 -0.161 . . . . 0.0 110.576 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -61.13 -37.83 84.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.531 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.64 HG23 ' HE1' ' A' ' 10' ' ' PHE . 73.7 mt -70.31 -47.51 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.34 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.89 -31.77 61.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.19 -45.15 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.03 65.78 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.653 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.79 -29.79 69.07 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.184 -0.323 . . . . 0.0 111.062 176.272 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 33' ' ' ASP . . . -111.67 -0.51 27.54 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.671 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 2.0 t -112.84 -46.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.769 HD23 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -90.29 -49.06 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -178.229 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG21 ' HD2' ' A' ' 28' ' ' ARG . 93.0 t -71.48 -33.44 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.064 0.459 . . . . 0.0 110.773 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 1.1 t0 -90.62 -19.1 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.793 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.71 46.05 78.89 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.047 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 mttt -118.15 148.8 44.41 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.373 0.13 . . . . 0.0 110.959 -176.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 29.2 Cg_exo -61.84 139.08 78.02 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.188 2.592 . . . . 0.0 113.383 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.689 ' HB3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -72.53 -23.24 60.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.927 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.13 97.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.441 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.46 71.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.153 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.417 ' HB3' HG11 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -66.77 -39.46 87.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.182 -175.65 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -65.88 -50.27 65.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.552 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -22.77 61.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 m -76.57 -41.62 45.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.067 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -22.6 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.742 -176.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.7 20.33 34.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.541 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.61 171.53 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.237 -0.481 . . . . 0.0 109.816 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.54 156.29 20.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.096 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -43.99 97.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 110.825 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.22 -27.8 73.23 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 113.017 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.35 46.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 37' ' ' GLN . 90.7 t -71.62 -39.69 70.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.861 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -74.04 -16.76 61.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.66 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -69.73 -33.41 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 176.356 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.9 -47.3 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.042 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.769 HG23 HD23 ' A' ' 31' ' ' LEU . 7.7 p -65.95 -36.73 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.156 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -65.34 -50.11 66.83 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.605 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -69.37 -48.86 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.157 -173.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 ' CE2' ' A' ' 10' ' ' PHE . 71.2 t -70.47 -41.66 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.583 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.586 ' HE3' HD11 ' A' ' 31' ' ' LEU . 71.2 t-105 -64.84 -43.64 92.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.307 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.25 72.35 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.111 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.1 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.105 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -73.29 -37.17 66.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.849 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.83 -35.63 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.5 t70 -77.97 -30.35 50.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 177.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -66.34 -40.71 90.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.203 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -90.75 3.11 55.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.643 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.41 115.18 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 124.665 1.186 . . . . 0.0 112.283 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 9.7 Cg_endo -87.32 1.8 7.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.002 2.468 . . . . 0.0 111.652 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.66 151.94 18.9 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.652 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.84 -33.43 7.4 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.09 130.31 56.9 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.85 139.88 50.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 5.9 ptp85 -123.9 124.3 42.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.6 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -92.01 115.55 31.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.741 0.781 . . . . 0.0 111.171 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.48 HG23 HG23 ' B' ' 75' ' ' THR . 0.2 OUTLIER -83.12 116.37 22.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.074 177.33 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB1' ' HG3' ' B' ' 90' ' ' GLU . . . -122.42 155.92 35.09 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.754 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.427 HG13 ' HB3' ' B' ' 73' ' ' ARG . 1.4 t -108.87 108.75 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -164.08 130.0 2.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.926 -170.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.883 ' HA ' ' HB3' ' B' ' 72' ' ' ALA . 37.1 Cg_exo -63.17 157.49 49.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.113 2.542 . . . . 0.0 113.043 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -68.9 -19.55 64.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.185 -174.249 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.88 40.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.822 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -73.42 -27.56 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.825 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -62.91 -20.83 65.56 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.596 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -52.27 -44.58 65.02 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.374 0.421 . . . . 0.0 111.073 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -83.73 -34.01 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 -37.35 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.88 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.03 -32.97 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.641 0.377 . . . . 0.0 111.384 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -73.74 -45.42 52.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.558 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -65.45 -41.81 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' B' ' 76' ' ' ALA . 22.9 mm-40 -77.49 -22.91 50.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.146 -176.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.29 76.86 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.362 0.601 . . . . 0.0 109.417 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.25 -29.72 60.28 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.321 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 96' ' ' LYS . . . -70.62 -35.92 73.21 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 176.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -38.54 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.176 174.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -80.96 -11.86 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.103 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -76.9 -13.05 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.281 0.563 . . . . 0.0 110.17 175.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.06 -1.53 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.793 172.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.79 33.65 10.05 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.281 1.032 . . . . 0.0 112.379 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.85 61.84 0.6 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.769 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -144.59 127.51 16.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.716 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.2 mpt_? . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.0 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.4 ' HA ' ' CD1' ' B' ' 59' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.779 0.323 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -89.84 66.17 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.378 0.609 . . . . 0.0 110.386 178.674 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -154.01 159.06 41.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.464 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.621 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.9 mtt-85 -93.25 154.93 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.184 0.516 . . . . 0.0 110.903 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.444 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 11.1 tp -117.19 161.77 18.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.29 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -93.76 163.56 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.872 0.368 . . . . 0.0 110.62 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -45.66 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -73.66 -31.28 63.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.129 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -65.3 -46.98 78.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.07 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.19 -32.5 72.78 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.93 -42.52 97.34 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.27 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.921 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 pt -76.3 -22.3 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -173.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.31 -6.43 59.24 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.816 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.07 6.04 58.06 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 171.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.4 OUTLIER -124.2 163.26 21.95 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.775 0.43 . . . . 0.0 111.028 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.98 84.62 2.28 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.23 161.9 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.892 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.45 146.76 43.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.28 -1.327 . . . . 0.0 113.524 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.88 -19.22 61.33 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.88 -46.49 68.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -37.5 80.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.3 177.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 81.5 mt -69.4 -41.18 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.684 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.13 -33.1 75.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.491 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 39.2 mt -69.7 -50.93 45.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.32 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.677 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -30.05 71.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.582 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.63 -36.02 2.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.631 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.613 HG11 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -66.04 -41.12 89.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.965 0.506 . . . . 0.0 111.454 -176.701 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.549 HD21 HG23 ' B' ' 55' ' ' VAL . 28.9 mt -97.6 -52.0 3.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.473 -177.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.85 -39.34 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -93.46 -14.38 26.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.753 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 73.99 48.38 16.15 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.0 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 138.04 21.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.698 -0.251 . . . . 0.0 110.931 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.6 139.88 91.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.962 2.441 . . . . 0.0 112.266 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.483 -174.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.75 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.657 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.8 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.407 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -37.94 81.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.599 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.56 -47.0 83.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.284 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -65.45 -41.65 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.738 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -74.48 -29.71 61.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -83.42 -27.51 29.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 26.7 32.77 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.407 HD23 HD11 ' B' ' 26' ' ' ILE . 1.8 mp -103.86 170.63 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.34 154.49 30.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 48' ' ' ARG . 4.2 ttp180 -64.41 -42.76 95.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.114 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.22 -26.97 73.39 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.76 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.07 -39.83 65.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 110.708 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' B' ' 41' ' ' ALA . 44.8 t -71.28 -39.72 73.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.47 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 m -73.41 -20.64 60.68 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.446 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.7 73.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.447 173.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.15 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.972 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.613 ' HB ' HG11 ' B' ' 30' ' ' VAL . 3.3 p -66.37 -39.05 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.123 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -69.04 -48.38 63.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.22 -38.57 77.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.434 0.159 . . . . 0.0 111.315 -175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TRP . . . . . 0.444 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 53.1 t-105 -67.22 -42.15 84.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.784 0.326 . . . . 0.0 110.949 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.81 82.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.3 -39.69 81.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.75 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.16 -49.53 75.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.53 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.87 -43.29 93.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.773 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.58 -39.58 91.78 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.696 0.284 . . . . 0.0 111.591 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.19 -28.63 61.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -25.19 62.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.369 176.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.86 90.68 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.571 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.51 -12.81 22.66 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.844 2.363 . . . . 0.0 111.457 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.34 118.32 19.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.881 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.66 -27.19 69.75 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.438 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -103.18 157.3 17.1 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.883 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . -156.15 157.27 35.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.427 ' HB3' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -139.79 115.36 10.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.207 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -96.95 138.6 21.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.729 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' THR . . . . . 0.48 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -98.59 113.83 26.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.138 177.212 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.43 ' HB1' ' HG3' ' A' ' 90' ' ' GLU . . . -112.0 173.22 6.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -124.38 109.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.366 -179.038 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' B' ' 82' ' ' GLN . 2.3 tp -163.1 140.88 6.15 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.13 -171.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.81 158.38 38.16 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.17 2.58 . . . . 0.0 113.241 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -18.72 64.17 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.201 -176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -60.46 -55.27 35.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.48 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.592 ' HB3' HD21 ' B' ' 78' ' ' LEU . 6.2 tt0 -72.11 -26.46 62.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.51 62.42 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -52.44 -46.86 66.59 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.483 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.66 -32.62 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.698 -178.442 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.82 -42.0 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.944 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -40.36 61.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.107 0.563 . . . . 0.0 111.841 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.39 -33.15 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -79.82 -32.96 40.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.702 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.644 ' HG3' ' HB1' ' A' ' 76' ' ' ALA . 18.7 mm-40 -77.34 -24.02 50.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.144 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.78 -22.54 37.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.16 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.461 ' HB1' HD12 ' A' ' 78' ' ' LEU . . . -67.92 -40.75 83.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.707 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -26.68 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.961 175.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -10.19 59.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.294 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -71.71 -16.37 62.23 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -94.12 -1.17 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.176 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.46 39.32 31.09 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.088 0.955 . . . . 0.0 113.104 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -17.18 53.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 175.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.81 34.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.41 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.739 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.467 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.652 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 3.8 mtp-105 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.96 0.409 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 5.9 tp -136.49 123.76 21.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.585 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 160.68 32.42 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -46.72 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.882 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -73.66 -27.66 61.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.586 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CE2' ' HD2' ' A' ' 28' ' ' ARG . 24.1 t80 -65.63 -46.35 79.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.416 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 123.508 0.505 . . . . 0.0 111.547 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -39.83 94.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.803 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -49.74 16.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.16 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 14.7 pt -74.1 -10.55 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.05 -27.24 63.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.664 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 20.8 42.41 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.825 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -108.6 119.64 40.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.42 82.8 3.72 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.89 155.45 10.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.212 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.95 156.05 50.02 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.624 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 24' ' ' ILE . 2.9 mt-30 -64.29 -18.09 64.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.425 -0.387 . . . . 0.0 112.038 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -62.73 -47.52 83.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.287 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -69.91 -33.68 72.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.282 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 21' ' ' GLN . 76.0 mt -69.19 -39.4 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.2 -25.68 65.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.667 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 31.5 mm -62.5 -50.71 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -71.48 -19.84 62.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.686 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.593 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -66.63 -28.94 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.407 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.36 -25.9 5.62 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.127 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.83 HG11 HG22 ' A' ' 55' ' ' VAL . 1.3 t -80.58 -45.62 21.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD12 ' HB1' ' A' ' 27' ' ' ALA . 30.9 mt -94.11 -45.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -176.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 84.2 t -64.74 -41.5 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.302 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.45 -14.3 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.1 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.652 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.76 48.77 59.57 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.763 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -108.09 153.21 41.91 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.589 -0.305 . . . . 0.0 111.423 -172.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.74 131.91 46.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.421 2.747 . . . . 0.0 112.864 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HG2' HG21 ' A' ' 55' ' ' VAL . 7.4 mp0 -80.94 -27.35 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.421 -173.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.36 85.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.558 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -39.28 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.146 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -33.89 75.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.37 88.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.189 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -71.35 -27.12 63.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.803 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 m -77.26 -32.82 55.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.669 0.271 . . . . 0.0 111.578 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -99.55 -11.93 20.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 16.25 68.57 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.972 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -88.69 160.22 17.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 120.959 0.409 . . . . 0.0 110.722 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.38 157.27 34.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.318 171.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -63.06 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -26.14 72.73 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.982 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.27 -40.66 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.995 0.397 . . . . 0.0 110.842 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' VAL . 54.2 t -65.48 -49.61 77.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.485 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -64.42 -24.73 67.73 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.699 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.5 ' HB3' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -68.04 -38.43 82.51 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 175.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.639 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -72.37 -35.77 68.56 Favored 'General case' 0 CA--C 1.519 -0.215 0 O-C-N 123.159 0.287 . . . . 0.0 110.766 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.83 HG22 HG11 ' A' ' 30' ' ' VAL . 35.8 t -59.83 -53.88 42.32 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.644 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -67.17 -33.48 75.5 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.501 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -57.26 -51.03 71.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.136 0.425 . . . . 0.0 111.359 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 17' ' ' LEU . 94.2 t -73.76 -39.38 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.511 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -66.47 -33.0 74.72 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.809 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . . . -69.14 -30.94 69.3 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.452 0.301 . . . . 0.0 111.785 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.67 82.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 109.873 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.87 -37.13 70.23 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.535 ' HB2' ' HA ' ' A' ' 60' ' ' ALA . 60.3 mt-10 -61.22 -46.79 88.98 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.636 0.774 . . . . 0.0 111.207 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.99 -33.51 73.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.414 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.856 -179.437 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.8 119.62 34.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.011 0.434 . . . . 0.0 110.432 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' B' ' 78' ' ' LEU . 28.9 m -93.07 143.72 10.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 120.5 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.164 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.777 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -133.71 149.01 51.5 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.154 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.618 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 61.2 t -78.8 115.69 21.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.474 ' HB2' HG22 ' B' ' 74' ' ' VAL . 14.2 mt -157.84 142.72 12.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.43 166.35 23.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.525 2.15 . . . . 0.0 112.847 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -23.69 64.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.301 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.09 -38.79 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -72.88 -31.28 64.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.764 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -62.54 -23.06 66.77 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.134 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.55 -45.7 66.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.222 0.534 . . . . 0.0 110.507 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -84.46 -32.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.102 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 73.9 t -62.96 -31.62 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -39.76 89.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.13 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -76.02 -29.42 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -72.21 -33.8 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.4 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.877 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 19.1 tt0 -64.86 -43.48 92.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.392 176.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.44 67.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.959 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -42.07 63.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.26 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.65 74.78 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 174.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.851 179.053 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.467 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.594 HD22 ' HZ3' ' B' ' 59' ' ' TRP . 0.6 OUTLIER -151.86 176.1 11.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.102 -175.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.224 -173.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.622 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.3 tt0 -64.85 -24.36 67.52 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.209 0.318 . . . . 0.0 111.614 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -46.54 89.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -78.87 -25.88 43.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.727 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.622 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 69.1 t80 -65.16 -38.56 90.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.339 175.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -36.3 83.48 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.847 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.56 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -75.18 -49.16 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.907 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.488 HG21 HG23 ' B' ' 24' ' ' ILE . 7.0 pt -74.78 -9.83 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -175.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.67 -6.84 57.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.455 0.645 . . . . 0.0 111.168 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.3 39.34 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.76 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -130.53 126.28 36.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 111.35 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -100.99 83.89 2.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.576 HG22 ' HB3' ' B' ' 17' ' ' LEU . 2.8 m -129.37 166.14 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.76 -175.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 154.59 50.55 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.133 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -60.11 -26.75 66.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.581 . . . . 0.0 111.962 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.32 -48.22 82.69 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.071 0.232 . . . . 0.0 110.908 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.508 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -61.23 -41.01 96.12 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.643 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.488 HG23 HG21 ' B' ' 14' ' ' ILE . 31.8 mt -69.83 -43.61 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.43 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.04 -29.27 66.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.416 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 27.8 mm -65.55 -49.08 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.54 70.8 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.809 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.656 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 4.3 ttt180 -61.15 -28.76 69.35 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.089 0.556 . . . . 0.0 112.134 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.83 -29.33 4.69 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.015 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.797 HG11 HG22 ' B' ' 55' ' ' VAL . 0.9 OUTLIER -74.92 -49.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 122.424 0.289 . . . . 0.0 111.638 -173.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.54 1.94 13.71 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.7 t -97.46 -52.26 9.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 O-C-N 121.829 -0.544 . . . . 0.0 109.843 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -83.61 -37.3 23.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.925 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 94.16 49.68 2.39 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.29 -177.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 31.0 mmtm -99.54 144.8 28.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.702 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 34.3 Cg_exo -57.3 135.49 70.52 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.103 2.535 . . . . 0.0 112.742 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.403 ' HG2' HG21 ' B' ' 55' ' ' VAL . 1.7 mp0 -76.64 -30.39 56.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.256 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.75 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -27.1 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.341 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -35.7 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.84 82.33 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.975 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -35.33 63.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.743 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -68.27 -50.91 50.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.1 43.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.034 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.9 23.96 50.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.679 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -87.64 164.15 16.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.87 156.23 32.31 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -39.98 91.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.45 -28.92 72.96 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.94 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.16 57.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.861 0.33 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.437 ' O ' HG23 ' B' ' 55' ' ' VAL . 70.6 t -64.98 -43.64 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 m -65.8 -29.8 70.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.581 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -69.46 -33.99 73.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.058 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -68.02 -39.96 83.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.03 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.797 HG22 HG11 ' B' ' 30' ' ' VAL . 2.7 t -62.84 -49.35 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.923 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.86 -44.04 91.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.295 -175.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -66.87 -48.89 67.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.612 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.54 -43.59 62.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.296 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.594 ' HZ3' HD22 ' B' ' 5' ' ' LEU . 58.4 t-105 -65.21 -42.67 93.27 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.124 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 63' ' ' GLU . . . -63.74 -28.91 70.2 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.79 90.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.061 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 53.6 t80 -68.84 -35.35 76.85 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.159 0.504 . . . . 0.0 110.183 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 60' ' ' ALA . 36.8 mt-10 -67.82 -28.54 67.66 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.601 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.314 0.578 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -122.51 108.71 13.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' A' ' 78' ' ' LEU . 35.7 m -84.96 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.75 0.786 . . . . 0.0 111.153 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.22 115.5 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.898 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.6 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -139.59 166.0 25.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.64 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.877 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 46.8 t -78.23 112.35 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' B' ' 79' ' ' PRO . 0.1 OUTLIER -149.37 145.27 18.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.616 ' HD2' HD12 ' B' ' 78' ' ' LEU . 45.9 Cg_endo -69.72 170.91 15.43 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.209 1.94 . . . . 0.0 112.804 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -20.08 64.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.54 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.116 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.125 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.621 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -65.2 -23.91 67.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.079 -177.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -55.09 -46.47 75.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.263 0.554 . . . . 0.0 110.415 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.81 -26.37 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.697 -177.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.777 HG13 ' HB2' ' A' ' 76' ' ' ALA . 3.5 t -62.94 -36.62 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -42.16 76.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -38.9 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.879 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.53 -27.34 66.02 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.221 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.618 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -56.63 -50.57 71.63 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 176.505 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.46 -22.62 43.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.733 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -36.89 59.2 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 175.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.654 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 91.9 mtt180 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 21.5 tp -119.22 155.75 31.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.782 -175.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.0 p -99.06 162.52 13.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.228 -0.295 . . . . 0.0 111.493 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -51.32 -47.81 62.56 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.245 0.545 . . . . 0.0 110.55 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -56.5 -54.52 44.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.733 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.87 -23.43 61.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.334 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.23 -45.62 87.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.111 0.481 . . . . 0.0 110.07 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.69 -38.79 92.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.219 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.55 -27.78 63.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.693 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.5 21.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.487 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' GLN . 28.9 pt -70.39 -45.8 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.416 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 14' ' ' ILE . 23.8 tt0 45.56 -90.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.991 0.916 . . . . 0.0 113.021 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.36 22.88 3.5 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.281 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -71.09 138.4 49.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.326 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.09 83.54 7.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.534 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.91 142.66 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.134 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.69 143.62 38.82 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.324 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -56.34 -23.38 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 26' ' ' ILE . 2.9 tp-100 -59.3 -51.22 70.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.879 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -28.72 63.37 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.135 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 21' ' ' GLN . 78.7 mt -64.0 -46.76 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.351 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.96 -25.76 65.6 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 22' ' ' GLN . 86.4 mt -66.36 -51.11 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.33 68.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.887 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.681 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 6.9 tmm_? -62.22 -29.28 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.003 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -107.19 -36.67 2.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.798 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 37' ' ' GLN . 3.0 t -68.01 -44.45 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 122.935 0.494 . . . . 0.0 111.569 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.762 HD21 HG23 ' A' ' 55' ' ' VAL . 64.5 mt -97.35 -53.55 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.68 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.681 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.5 t -62.73 -48.17 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.705 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.599 ' OD1' ' HG3' ' A' ' 35' ' ' LYS . 15.4 t70 -82.95 -36.42 25.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.506 0.669 . . . . 0.0 109.831 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.654 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 88.21 35.35 8.9 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.582 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.599 ' HG3' ' OD1' ' A' ' 33' ' ' ASP . 52.5 mttp -92.16 148.99 37.84 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.835 0.35 . . . . 0.0 111.391 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.47 123.42 11.27 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 112.091 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.535 ' HB3' ' CG1' ' A' ' 51' ' ' VAL . 1.5 mp0 -61.05 -35.58 77.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.78 -172.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.83 68.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.646 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -68.85 -41.54 78.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 110.269 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.444 ' HA ' HD13 ' A' ' 44' ' ' LEU . 92.3 m-85 -66.6 -37.24 84.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.954 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.17 -51.52 69.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.975 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -71.58 -46.08 60.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.817 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -73.69 -50.99 18.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 40' ' ' PHE . 8.2 mp -82.16 -15.29 53.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 111.089 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 42.44 6.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.075 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 51.7 mt -108.18 158.77 17.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -90.93 156.19 18.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 48' ' ' ARG . 2.7 ptm180 -61.3 -34.61 75.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.585 0.231 . . . . 0.0 110.945 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.68 -41.46 89.29 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.831 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.76 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 37' ' ' GLN . 84.5 t -60.64 -45.85 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.813 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.407 ' HA ' HG12 ' A' ' 55' ' ' VAL . 23.6 m -70.59 -28.09 64.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.627 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.12 -40.65 78.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.53 80.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.762 HG23 HD21 ' A' ' 31' ' ' LEU . 5.9 p -65.1 -38.54 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.503 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -66.94 -50.45 62.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -64.27 -50.73 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.3 -41.89 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.994 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.485 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 28.8 t-105 -67.85 -30.65 70.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.93 -35.77 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.61 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.209 0.528 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -65.69 -35.01 79.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.048 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.11 -47.24 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -35.49 80.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 178.844 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 34.9 ptt180 -86.05 110.94 19.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.628 0.728 . . . . 0.0 109.569 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.433 HG21 ' HB2' ' B' ' 78' ' ' LEU . 15.4 m -93.78 114.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.296 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -96.82 130.33 44.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.734 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.14 144.73 31.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.662 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.746 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 11.6 p -82.7 132.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' B' ' 93' ' ' ALA . 68.7 mt -156.68 136.98 8.86 Favored Pre-proline 0 C--N 1.316 -0.87 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.14 139.18 80.34 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.274 1.983 . . . . 0.0 111.6 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -44.64 -44.56 9.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.9 0.75 . . . . 0.0 112.284 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.91 -27.63 63.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.819 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.58 HE22 HD12 ' A' ' 85' ' ' ILE . 25.0 tp60 -73.12 -27.67 61.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 111.186 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -61.75 -23.98 66.52 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.067 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -52.01 -47.6 64.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.419 0.628 . . . . 0.0 110.115 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.58 HD12 HE22 ' A' ' 82' ' ' GLN . 3.4 mt -84.49 -24.78 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.605 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.25 -38.66 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.636 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -63.12 -24.13 67.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.189 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -69.77 -48.37 59.55 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -63.36 -37.42 87.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -57.72 -46.15 84.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.872 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.67 -23.18 49.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.221 0.534 . . . . 0.0 111.068 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -73.88 -33.1 63.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.022 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.577 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -66.95 -38.94 87.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -76.78 -21.16 55.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.252 0.549 . . . . 0.0 110.091 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 24.4 ttpt . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.795 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.523 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 60.8 mtt180 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 19.6 tp -111.79 119.3 38.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -176.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -74.06 157.43 36.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.07 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -50.2 -42.2 50.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.759 0.314 . . . . 0.0 111.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -58.15 -55.07 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.123 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.84 -27.56 65.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.743 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CE2' HG23 ' B' ' 24' ' ' ILE . 64.6 t80 -65.5 -50.08 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.329 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.88 -35.28 80.13 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.659 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -64.22 -37.89 89.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.975 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.36 56.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 31.2 pt -74.84 -38.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.741 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 39.9 -92.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.213 1.005 . . . . 0.0 113.189 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.93 28.61 2.93 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.27 159.42 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.81 0.338 . . . . 0.0 110.569 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.6 84.84 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.55 128.24 60.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.378 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 158.22 46.01 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.8 -19.2 65.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 26' ' ' ILE . 6.4 tp-100 -65.5 -50.52 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.829 HG23 ' HA ' ' B' ' 54' ' ' ALA . 14.1 m -57.8 -40.86 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.115 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.463 ' HB ' ' HA ' ' B' ' 21' ' ' GLN . 75.3 mt -66.62 -50.72 63.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.509 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.69 -33.66 74.33 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.643 HG21 ' HA ' ' B' ' 51' ' ' VAL . 85.0 mt -65.13 -48.18 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.24 -26.79 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.992 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.653 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 45.7 ttm-85 -73.03 -39.43 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.326 . . . . 0.0 110.922 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.76 -13.26 56.99 Favored Glycine 0 CA--C 1.51 -0.23 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.838 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.564 HG13 ' HG3' ' B' ' 37' ' ' GLN . 2.1 t -99.78 -48.97 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.268 -0.466 . . . . 0.0 110.736 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.628 HD21 HG23 ' B' ' 55' ' ' VAL . 95.3 mt -94.82 -52.84 4.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.57 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 48.1 t -62.9 -39.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.257 0.551 . . . . 0.0 111.347 -177.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -80.35 -21.24 42.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.659 0.742 . . . . 0.0 109.945 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.523 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 67.89 47.46 60.33 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.629 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -119.06 138.77 26.54 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.343 -0.428 . . . . 0.0 111.007 -173.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.7 123.74 6.19 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.503 2.802 . . . . 0.0 112.003 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.564 ' HG3' HG13 ' B' ' 30' ' ' VAL . 1.8 mp0 -57.5 -38.52 74.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.373 -169.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.2 69.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.431 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.7 m -65.22 -41.14 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 19.4 t80 -70.46 -39.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 109.604 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -61.37 -47.62 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.802 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -65.86 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.501 ' HB3' HD12 ' B' ' 44' ' ' LEU . 7.8 t -71.04 -54.77 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.294 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 43' ' ' SER . 6.9 mp -89.59 -1.34 57.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.85 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.35 38.32 39.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.32 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 80.1 mt -95.19 158.39 15.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.203 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.2 p -86.61 155.18 20.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 48' ' ' ARG . 1.5 ptm180 -63.22 -31.78 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.681 0.277 . . . . 0.0 110.569 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.71 -36.48 82.76 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.069 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.51 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.269 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' B' ' 41' ' ' ALA . 78.3 t -62.79 -41.25 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.475 ' HA ' HG12 ' B' ' 55' ' ' VAL . 42.7 m -68.82 -33.11 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.21 -44.98 96.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.462 . . . . 0.0 110.24 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.829 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -61.91 -49.21 77.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.504 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.628 HG23 HD21 ' B' ' 31' ' ' LEU . 7.1 p -68.93 -38.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.313 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -66.12 -51.49 57.42 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' B' ' 57' ' ' ARG . 9.1 mmt180 -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.12 -45.9 95.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.88 0.372 . . . . 0.0 110.519 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -66.03 -36.76 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.676 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.54 83.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.129 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.46 97.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.075 0.464 . . . . 0.0 109.892 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.09 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.197 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.91 -49.96 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.234 0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -177.246 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.542 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 34.5 ptt180 -79.37 104.66 10.14 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.79 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 83' ' ' ALA . 21.8 m -91.08 124.44 43.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.6 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.3 p -87.91 122.72 31.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.138 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -129.26 173.59 10.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.502 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.485 HG13 ' HB3' ' A' ' 93' ' ' ALA . 12.2 p -124.55 135.39 64.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 93' ' ' ALA . 44.0 mt -163.59 160.58 17.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.52 138.05 79.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.112 1.875 . . . . 0.0 111.817 175.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -56.38 -32.71 65.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.191 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -73.59 -21.44 60.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.009 0.433 . . . . 0.0 110.826 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.669 HE22 HD12 ' B' ' 85' ' ' ILE . 26.7 tp60 -72.2 -26.65 62.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.36 59.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.122 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . 0.481 ' HD2' HG12 ' B' ' 85' ' ' ILE . 36.9 t80 -53.83 -46.65 71.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.319 0.581 . . . . 0.0 110.446 176.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.669 HD12 HE22 ' B' ' 82' ' ' GLN . 3.7 mt -84.07 -27.86 7.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.942 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.75 -34.69 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.874 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -58.25 -34.7 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.488 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.02 -47.22 53.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.206 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.413 ' HD1' ' O ' ' B' ' 85' ' ' ILE . 36.7 m95 -62.12 -41.22 98.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.628 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.746 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 37.7 tt0 -59.42 -43.01 93.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.94 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.114 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -37.85 77.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.423 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.503 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.231 0.538 . . . . 0.0 110.483 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 5' ' ' LEU . 7.7 tp -115.18 154.58 28.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 154.65 35.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.455 173.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.55 -25.81 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.705 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.89 60.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.107 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -75.14 -25.3 58.28 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.03 -47.1 78.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -42.35 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.956 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.75 83.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.702 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -84.76 -8.02 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -33.13 71.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.194 0.521 . . . . 0.0 110.826 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.63 23.49 34.78 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.112 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -130.96 120.25 23.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.041 0.448 . . . . 0.0 110.923 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.09 84.22 6.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.472 0.653 . . . . 0.0 109.765 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.34 163.66 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.785 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 136.34 46.4 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 114.948 -1.023 . . . . 0.0 112.991 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -66.91 -20.98 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.36 0.264 . . . . 0.0 111.277 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.29 -46.04 88.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.45 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.745 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -71.4 -30.35 66.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 21' ' ' GLN . 88.5 mt -66.15 -40.35 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.291 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.01 -27.11 66.28 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.387 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 23' ' ' THR . 39.7 mt -71.9 -49.79 42.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.269 177.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -64.85 -19.7 66.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.579 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.4 ttt85 -58.43 -29.09 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.16 -45.54 1.0 Allowed Glycine 0 C--O 1.224 -0.484 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.224 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 55' ' ' VAL . 30.4 m -75.82 -21.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 117.343 0.572 . . . . 0.0 112.402 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 1.1 tt -108.29 -50.58 3.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.221 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.4 t -68.07 -48.67 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.066 0.46 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.84 -12.39 39.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.25 33.33 77.77 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.63 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -85.7 158.47 56.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.434 0.117 . . . . 0.0 111.153 -173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.19 151.18 86.13 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.009 2.473 . . . . 0.0 113.274 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.3 -30.3 33.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.118 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.77 84.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.071 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -39.96 80.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -33.75 76.5 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.71 79.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.117 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -28.38 64.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -73.48 -42.62 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -93.91 -22.64 18.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.7 36.17 4.89 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.071 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.09 172.19 7.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.799 0.333 . . . . 0.0 110.608 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 156.23 17.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -59.88 -37.94 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -29.34 72.61 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.413 0.446 . . . . 0.0 113.19 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.27 -36.12 63.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.101 0.477 . . . . 0.0 110.206 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 26' ' ' ILE . 73.0 t -68.89 -42.16 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.015 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.513 ' HA ' HG23 ' A' ' 55' ' ' VAL . 8.0 p -72.39 -22.14 61.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 111.337 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -32.32 70.45 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.528 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -68.32 -36.96 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -63.89 -44.41 98.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.54 -45.59 86.48 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.743 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -60.29 -54.14 49.31 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.85 -36.94 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.121 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.425 ' HE3' HD11 ' A' ' 31' ' ' LEU . 27.9 t-105 -63.52 -42.64 98.46 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.402 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -32.03 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.129 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.94 87.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.065 0.459 . . . . 0.0 110.56 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -63.97 -43.47 95.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.673 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.42 -31.5 68.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.32 -38.24 78.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.435 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 tptt . . . . . 0 C--N 1.333 -0.134 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.915 178.333 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HB3' HG22 ' B' ' 75' ' ' THR . 0.0 OUTLIER -99.19 118.14 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.492 177.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -86.35 133.84 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.992 0.425 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.42 114.91 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.358 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.769 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -121.55 150.98 40.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.82 177.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.614 HG23 ' HG2' ' B' ' 90' ' ' GLU . 40.7 t -79.38 118.12 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HB2' HG22 ' B' ' 74' ' ' VAL . 3.3 mt -161.29 148.3 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.98 165.11 19.87 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.847 2.365 . . . . 0.0 113.108 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.41 -18.35 63.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.579 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.7 88.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 176.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -26.18 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.285 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -59.33 -22.84 61.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.89 -46.46 71.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.166 0.508 . . . . 0.0 110.625 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -82.99 -31.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.583 -178.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.682 HG13 ' HB2' ' B' ' 76' ' ' ALA . 54.9 t -62.86 -37.23 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.924 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 87' ' ' ARG . 2.1 ttt85 -62.61 -36.37 82.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -71.59 -39.93 70.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.746 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -73.26 -30.68 63.6 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.665 ' HG2' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -61.42 -42.21 98.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.384 175.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.68 -23.33 45.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.396 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -38.68 31.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.62 58.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.549 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -18.17 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.397 176.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.521 -0.157 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.166 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.64 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 4.0 mtp-105 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.087 0.47 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 9.0 tp -117.49 149.42 40.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.31 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 157.62 17.36 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.92 -31.87 72.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -51.35 62.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.45 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.445 ' HG2' ' HE1' ' B' ' 62' ' ' PHE . 7.9 mp0 -72.86 -26.95 61.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -65.93 -47.15 75.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -31.57 66.42 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.56 -30.7 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.259 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.425 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -69.62 -46.79 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.036 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.06 0.36 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.915 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.59 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.509 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.81 37.46 3.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.33 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -132.24 133.14 43.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.628 0.251 . . . . 0.0 110.77 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.13 84.35 6.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.583 0.706 . . . . 0.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.48 142.48 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.695 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 159.56 52.87 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.57 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -66.09 -21.45 66.36 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.084 -0.558 . . . . 0.0 111.869 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -44.11 91.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.591 0.234 . . . . 0.0 110.612 176.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.21 -31.76 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.097 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' B' ' 51' ' ' VAL . 56.0 mt -71.94 -50.92 34.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' B' ' 31' ' ' LEU . . . -65.96 -23.86 66.68 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.679 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.6 -35.25 75.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.007 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.97 1.84 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.771 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.563 HG21 HG22 ' B' ' 55' ' ' VAL . 35.1 m -69.84 -34.11 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 20.4 mt -96.39 -59.28 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.246 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 6.4 t -66.18 -52.19 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.688 -175.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.583 ' HB3' ' HD2' ' B' ' 35' ' ' LYS . 1.1 t0 -82.61 -17.26 45.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.268 0.556 . . . . 0.0 110.346 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.64 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 74.78 44.61 24.69 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.775 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.583 ' HD2' ' HB3' ' B' ' 33' ' ' ASP . 2.0 mttt -92.61 146.27 32.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.75 149.55 89.51 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.703 2.269 . . . . 0.0 112.827 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -39.84 24.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.473 -170.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.94 90.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.849 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -36.03 78.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.239 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -40.94 98.51 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.91 -55.34 34.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.492 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -68.76 -32.22 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -73.17 -37.23 66.6 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -19.98 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.661 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.52 31.13 8.06 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.048 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.54 168.67 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 110.262 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.01 156.84 19.1 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.847 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.77 84.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.38 -32.12 71.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.992 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.6 64.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.993 0.396 . . . . 0.0 110.79 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.613 ' HA ' HD13 ' B' ' 26' ' ' ILE . 38.7 t -63.43 -47.85 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.033 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -68.24 -26.25 65.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -35.35 75.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.545 0.212 . . . . 0.0 110.684 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.21 81.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.563 HG22 HG21 ' B' ' 30' ' ' VAL . 27.9 t -59.71 -51.07 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.757 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -42.17 92.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.255 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' B' ' 57' ' ' ARG . 16.4 tpp180 -64.09 -50.12 69.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.6 t -71.32 -40.7 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.763 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.405 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 25.4 t-105 -65.73 -35.4 80.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.5 84.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.972 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.09 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.474 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.445 ' HE1' ' HG2' ' B' ' 9' ' ' GLN . 30.0 t80 -62.91 -42.93 99.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.71 -40.55 72.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.553 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.817 0.342 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -127.74 115.58 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.086 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.4 m -85.93 143.84 10.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -129.98 124.97 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.239 -177.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.682 ' HB2' HG13 ' A' ' 86' ' ' VAL . . . -134.5 155.6 50.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.824 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG2' ' A' ' 90' ' ' GLU . 21.8 t -77.91 123.21 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 173.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.671 HD22 ' HG3' ' B' ' 82' ' ' GLN . 17.9 mt -158.96 152.33 18.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.26 170.84 15.06 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.26 1.973 . . . . 0.0 112.724 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . 0.488 ' H ' ' HG3' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -69.33 -19.79 63.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.314 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -47.27 80.13 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.245 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.671 ' HG3' HD22 ' B' ' 78' ' ' LEU . 37.0 mm-40 -73.3 -31.3 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.111 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.607 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -64.08 -25.37 68.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.006 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -55.53 -48.76 74.17 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.168 0.508 . . . . 0.0 110.565 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -25.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.806 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.8 t -62.28 -39.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.807 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -68.83 -29.44 67.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.834 0.35 . . . . 0.0 111.028 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -42.51 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.241 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -70.22 -32.97 71.08 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.614 ' HG2' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -57.31 -44.83 84.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.084 178.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.02 -32.9 45.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.438 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -33.85 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 178.51 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.645 0 CA-C-O 121.116 0.484 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 12.9 tp -101.82 148.0 25.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.538 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.14 157.53 30.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.554 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -63.01 -39.12 93.81 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.776 -175.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -36.96 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -78.29 -28.89 47.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.13 -40.6 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.23 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.62 88.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.273 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.67 -32.86 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.101 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.96 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.939 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.0 -17.51 8.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.32 113.37 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.64 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.6 1.34 62.11 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.245 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.4 mm? -103.76 145.02 30.7 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.683 0.278 . . . . 0.0 110.671 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -82.75 84.03 7.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.68 0.753 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.44 135.39 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.391 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.23 161.75 53.23 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.965 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.49 -32.03 73.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.04 -37.53 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 m -59.42 -45.13 92.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.152 0.501 . . . . 0.0 110.729 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -32.59 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -38.82 76.65 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.603 0.24 . . . . 0.0 110.8 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 HG21 ' HA ' ' A' ' 51' ' ' VAL . 37.9 mt -70.02 -50.22 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -65.58 -19.92 66.11 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.952 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -64.53 -29.64 70.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.985 0.421 . . . . 0.0 111.315 178.008 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.55 -32.15 2.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.818 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -71.97 -44.29 66.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.811 0.339 . . . . 0.0 111.054 -177.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD12 ' HB1' ' A' ' 27' ' ' ALA . 26.3 mt -94.44 -51.88 4.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.221 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 30.3 t -63.87 -38.68 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -93.26 -10.65 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.791 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 69.78 37.7 76.05 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.215 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -84.54 159.64 58.07 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.269 -0.466 . . . . 0.0 111.671 -172.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.36 144.16 50.04 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.728 2.285 . . . . 0.0 111.292 170.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -72.91 -36.04 67.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.0 -172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.22 93.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -41.18 94.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.914 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -40.7 69.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.057 -176.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -65.2 -51.79 58.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.674 -177.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -74.19 -27.0 60.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -80.72 -37.7 30.12 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.564 -0.455 . . . . 0.0 112.146 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -19.03 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.535 0.207 . . . . 0.0 111.513 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.78 14.4 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.477 -175.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.54 162.82 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.25 154.74 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -68.09 -38.28 82.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.52 0.2 . . . . 0.0 110.663 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.84 -29.25 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.586 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.96 -37.02 59.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.761 0.28 . . . . 0.0 110.951 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.511 ' HA ' HG21 ' A' ' 26' ' ' ILE . 52.3 t -69.08 -41.36 81.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.074 0.464 . . . . 0.0 110.266 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 55' ' ' VAL . 19.3 m -71.87 -22.02 61.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.386 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.84 -39.76 72.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 0.0 110.291 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.72 90.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.932 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.535 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 2.6 p -68.44 -39.39 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -51.31 57.68 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.149 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 2.0 tpt180 -68.55 -48.13 65.07 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.27 -42.67 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 110.98 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.14 -44.91 87.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.252 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.41 72.58 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.327 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.65 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.258 0.348 . . . . 0.0 111.023 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -70.35 -44.66 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.93 -35.67 81.9 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -73.26 -32.37 64.66 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.2 tttm . . . . . 0 N--CA 1.464 0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.583 ' HG2' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -83.48 103.58 12.94 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.5 m -92.21 148.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.303 -173.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.618 HG23 HG23 ' B' ' 75' ' ' THR . 0.2 OUTLIER -125.74 114.41 18.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.65 178.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -135.03 156.6 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.039 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.832 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 3.1 t -87.1 120.41 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -152.82 152.04 27.68 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.11 155.0 62.09 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 121.703 1.602 . . . . 0.0 111.168 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 1.4 tp10 -65.82 -19.2 65.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.082 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.14 -51.93 67.9 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 86' ' ' VAL . 20.6 mm-40 -73.03 -40.5 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.898 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -61.29 -22.71 65.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.809 -177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -52.27 -44.92 65.21 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.417 0.448 . . . . 0.0 110.737 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.64 -28.48 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 82' ' ' GLN . 29.9 t -68.11 -30.7 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -66.49 -31.5 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.649 0.261 . . . . 0.0 111.275 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.06 -37.5 64.23 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -67.7 -31.56 71.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.856 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 0.9 OUTLIER -64.26 -45.33 88.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.754 176.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.18 -30.37 68.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.991 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.39 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.823 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.57 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -69.91 -38.37 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.455 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 2.3 tptt -69.0 -33.44 73.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.874 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.888 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.224 0.535 . . . . 0.0 111.491 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -110.31 169.54 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.81 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.89 160.48 14.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.767 ' HG2' HG11 ' B' ' 32' ' ' VAL . 2.6 mt-10 -66.27 -23.76 66.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.18 24.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 0.0 110.968 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -25.27 63.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.564 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.39 -50.89 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.46 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.33 75.6 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.511 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -35.65 76.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.165 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.55 -41.97 53.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.965 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 pt -76.66 -14.83 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.55 111.58 9.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.402 . . . . 0.0 110.237 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.06 -5.06 41.84 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -101.78 138.91 38.14 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 18' ' ' GLU . 3.0 pt-20 -86.71 84.51 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.22 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.33 135.74 62.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.978 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.18 160.34 53.88 Favored Glycine 0 N--CA 1.439 -1.149 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.237 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.03 -33.25 67.01 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.255 0.622 . . . . 0.0 112.259 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -60.93 -50.85 71.73 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.304 0.377 . . . . 0.0 111.157 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.514 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -63.41 -36.81 84.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 111.448 -179.19 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.33 -34.99 65.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.683 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -36.62 69.65 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' B' ' 23' ' ' THR . 26.6 mt -65.29 -50.51 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.211 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' B' ' 31' ' ' LEU . . . -63.14 -25.28 68.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.869 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.669 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.6 mtp180 -65.81 -28.55 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.502 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.568 ' HA3' ' HE2' ' B' ' 40' ' ' PHE . . . -104.57 -42.59 1.83 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.089 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.24 -40.56 87.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 123.068 0.547 . . . . 0.0 111.073 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.774 HD21 HG23 ' B' ' 55' ' ' VAL . 42.1 mt -96.86 -54.96 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.339 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.767 HG11 ' HG2' ' B' ' 7' ' ' GLU . 56.7 t -68.83 -37.47 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.613 ' HB3' ' HG3' ' B' ' 35' ' ' LYS . 3.6 t0 -94.15 -9.89 34.97 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.691 -0.631 . . . . 0.0 110.553 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 72.65 30.96 63.3 Favored Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.265 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.613 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 16.9 mttm -86.57 154.2 56.18 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.627 -0.287 . . . . 0.0 110.982 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.63 152.77 70.04 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.834 2.356 . . . . 0.0 112.706 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.18 -36.48 77.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.489 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.03 85.69 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.266 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.31 90.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.753 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.568 ' HE2' ' HA3' ' B' ' 29' ' ' GLY . 0.2 OUTLIER -69.34 -33.27 72.86 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.671 -175.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -60.17 -47.29 86.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -28.73 60.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.158 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.0 m -69.54 -47.22 64.42 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -17.38 17.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.682 -176.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.74 35.21 9.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.276 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.42 169.98 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.68 159.17 18.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 169.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -63.8 -34.45 77.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.659 0.266 . . . . 0.0 111.28 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.62 -28.62 67.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.339 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.37 -37.3 66.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.059 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' B' ' 26' ' ' ILE . 58.6 t -67.59 -43.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.182 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -72.67 -20.15 61.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.514 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.1 -33.89 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.92 71.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.728 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.774 HG23 HD21 ' B' ' 31' ' ' LEU . 1.5 p -68.68 -37.17 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -37.4 87.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.744 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -56.23 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.851 -176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.27 -44.68 72.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.879 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.69 -43.87 83.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.375 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.32 72.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 111.492 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.18 80.71 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -60.65 -45.48 93.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.15 -43.07 99.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.275 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.724 -177.257 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.235 0 CA-C-O 120.559 0.219 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.612 ' HD3' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -92.02 104.68 17.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 178.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.424 HG11 ' HB2' ' A' ' 83' ' ' ALA . 29.0 m -95.23 148.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.368 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . 0.618 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.4 127.56 54.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.856 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -148.94 165.99 29.94 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.702 HG23 ' HG2' ' A' ' 90' ' ' GLU . 2.4 t -96.62 124.67 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 82' ' ' GLN . 0.1 OUTLIER -151.36 152.2 30.46 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -176.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.1 141.07 87.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.204 1.936 . . . . 0.0 111.531 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.52 -28.44 69.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.384 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -37.38 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 78' ' ' LEU . 0.5 OUTLIER -73.15 -38.21 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.319 175.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -62.27 -22.97 66.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.791 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -52.71 -45.41 66.91 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.559 0.537 . . . . 0.0 110.539 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.451 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -84.24 -31.62 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 -179.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 95.7 t -64.14 -34.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.917 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' B' ' 90' ' ' GLU . 8.4 tpt180 -60.47 -33.19 72.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.465 176.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -38.64 76.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 110.58 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -76.54 -30.06 56.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.34 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.832 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 31.7 tt0 -66.16 -48.38 70.94 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.349 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.9 66.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.58 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 -32.38 52.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.2 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 110.344 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD13 ' CH2' ' A' ' 59' ' ' TRP . 5.2 tp -89.31 169.46 11.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.572 -175.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -102.96 166.22 10.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -22.15 66.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.439 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.418 ' OG ' ' HB ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.89 -56.84 13.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.127 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -68.26 -32.65 72.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.454 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 87.6 t80 -60.35 -53.0 62.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.573 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -66.56 -30.36 70.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 -178.498 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 57.4 mt-10 -66.4 -38.3 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.95 -49.43 29.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.43 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -75.76 -22.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.5 tp60 -64.8 -34.2 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.892 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.3 15.89 62.38 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.833 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -128.31 162.89 26.0 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.092 0.472 . . . . 0.0 111.198 -177.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -113.82 92.55 4.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.206 174.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.14 147.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.53 157.14 45.08 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.455 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.62 -39.27 93.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.597 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -62.93 -44.03 97.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.799 0.333 . . . . 0.0 110.182 177.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -59.37 -39.05 82.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.781 177.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -69.17 -52.56 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.938 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 22' ' ' GLN . 3.5 pt-20 -61.03 -36.26 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.695 -174.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 85.7 mt -70.32 -48.32 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -60.52 -30.8 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.702 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.714 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 15.1 ttp85 -67.42 -29.38 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.7 -22.24 16.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.573 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 31' ' ' LEU . 2.2 t -84.93 -51.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.987 0.423 . . . . 0.0 111.069 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 55' ' ' VAL . 30.0 mt -92.6 -49.14 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.219 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 51.7 t -67.22 -29.89 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 111.32 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.61 -10.27 25.43 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.226 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 58.23 49.26 77.51 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.648 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -111.84 159.81 32.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.678 0.275 . . . . 0.0 111.468 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.59 133.19 41.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.895 2.396 . . . . 0.0 112.172 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.66 -30.9 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.033 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.44 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.242 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.336 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -41.45 95.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.008 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.21 73.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.113 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -32.3 73.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.948 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.3 m -78.63 -43.58 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.651 0.262 . . . . 0.0 111.343 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.401 HD23 HD22 ' A' ' 46' ' ' LEU . 3.4 mp -82.18 -22.96 35.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.709 0.29 . . . . 0.0 111.26 -176.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 15.26 71.28 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.408 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.433 HD21 ' HG2' ' A' ' 22' ' ' GLN . 3.6 mp -90.13 167.04 13.04 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.33 154.8 37.11 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -34.93 79.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.774 0.321 . . . . 0.0 110.584 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.253 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.45 72.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' HA ' HD13 ' A' ' 26' ' ' ILE . 76.2 t -66.57 -42.36 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 m -73.03 -20.78 60.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.74 -34.09 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.223 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.804 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -63.5 -49.21 74.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.132 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.649 ' HA ' HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.51 -38.49 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -41.15 96.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -75.98 -54.2 7.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.41 -46.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.729 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.563 ' HE3' HD13 ' A' ' 31' ' ' LEU . 18.6 t-105 -66.6 -37.71 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.02 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.07 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -63.11 -47.07 84.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.1 -42.83 95.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.117 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.81 -46.48 68.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CG ' ' HE2' ' B' ' 81' ' ' HIS . 35.8 t70 -67.51 -28.11 67.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.583 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -74.99 105.91 6.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.705 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.64 138.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.637 HG23 HG23 ' B' ' 75' ' ' THR . 0.0 OUTLIER -113.39 129.17 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.944 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.61 ' HA ' ' HG3' ' B' ' 90' ' ' GLU . . . -152.05 151.15 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.005 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 ' HB3' ' B' ' 93' ' ' ALA . 4.0 p -86.83 136.8 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.55 153.34 21.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.469 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 29.5 Cg_endo -64.99 136.02 46.59 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.855 1.703 . . . . 0.0 110.793 171.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -55.27 -29.26 57.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.629 -176.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 13.9 m80 -61.9 -51.02 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.469 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 3.9 mp0 -72.85 -30.32 63.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -63.35 -23.71 67.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.276 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -57.54 -35.64 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.507 176.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 mt -75.96 -37.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.541 . . . . 0.0 109.827 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.21 -31.13 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.725 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -41.03 67.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 176.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -78.9 -30.77 45.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.708 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.2 -32.68 69.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.842 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 4.3 tt0 -60.53 -41.4 94.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.125 0.488 . . . . 0.0 110.141 175.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.93 60.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.798 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.65 -46.73 74.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.31 75.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -67.6 -43.18 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.327 0.584 . . . . 0.0 109.969 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.613 ' HG3' ' HA3' ' B' ' 34' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.0 tp -126.29 146.85 49.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.76 157.43 23.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.122 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.58 ' HG2' HG11 ' B' ' 32' ' ' VAL . 8.2 mt-10 -59.46 -34.64 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.28 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.81 -32.61 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.447 ' CE2' ' HG2' ' B' ' 28' ' ' ARG . 44.5 t80 -60.25 -54.27 47.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.816 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.14 -26.64 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -37.65 82.14 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.749 177.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.71 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.364 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -80.56 2.04 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.18 -37.83 81.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.665 0.269 . . . . 0.0 111.608 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.42 7.28 36.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.742 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 17' ' ' LEU . 1.8 mm? -103.86 150.29 24.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.425 . . . . 0.0 111.843 -175.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.26 84.68 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.611 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.67 132.31 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.826 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.29 170.98 47.06 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.041 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -55.95 -44.02 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.033 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.417 ' OE1' HD21 ' B' ' 46' ' ' LEU . 28.1 mm-40 -60.81 -44.31 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.208 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.715 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -56.24 -42.96 78.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.934 0.397 . . . . 0.0 110.904 178.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.31 -53.63 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.3 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 43.3 mt-10 -62.44 -38.52 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.759 -174.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.647 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 75.5 mt -65.88 -47.24 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.621 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.431 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.4 -25.1 67.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.565 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 1.1 tmm_? -61.7 -28.73 69.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.916 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -103.77 -37.34 3.0 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.464 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.508 HG11 ' HB ' ' B' ' 55' ' ' VAL . 2.6 t -69.7 -51.87 37.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.837 0.351 . . . . 0.0 111.351 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.541 HD21 HG23 ' B' ' 55' ' ' VAL . 20.1 mt -90.5 -44.25 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.704 -173.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.9 t -73.75 -41.53 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.9 t0 -83.57 -12.34 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.613 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 65.84 50.53 52.63 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.168 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.591 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -120.08 154.18 55.65 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.627 0.251 . . . . 0.0 111.586 -171.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.591 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 12.3 Cg_endo -57.78 149.16 70.67 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.966 2.444 . . . . 0.0 112.203 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -86.32 -25.06 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.376 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.22 81.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.286 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.41 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.346 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.647 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 1.5 t80 -64.34 -43.05 95.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.55 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.778 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -59.28 -38.63 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.858 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -70.14 -42.76 72.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -17.48 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.454 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.76 29.19 39.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.227 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.437 HD23 HD11 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -100.44 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.29 154.02 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.01 70.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.24 -42.3 99.74 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.702 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.05 82.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.915 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.462 ' HA ' HD13 ' B' ' 26' ' ' ILE . 53.9 t -62.85 -45.48 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -19.23 62.68 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.903 0.382 . . . . 0.0 111.26 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.07 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.863 0.363 . . . . 0.0 110.136 175.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.715 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -62.75 -48.78 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.502 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.541 HG23 HD21 ' B' ' 31' ' ' LEU . 0.9 OUTLIER -62.59 -42.37 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.319 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.45 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.371 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -49.4 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.33 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.94 -41.79 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.6 -39.56 93.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.82 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.4 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.013 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.73 -47.7 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.53 -28.84 69.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.823 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.539 176.356 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 1.1 ttm-85 -75.3 105.87 6.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.816 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 m -103.19 137.31 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.283 0.564 . . . . 0.0 111.373 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . 0.637 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -105.57 132.41 51.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.702 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.842 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -145.31 171.64 14.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.012 0.434 . . . . 0.0 111.076 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 t -110.97 126.77 68.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -151.24 155.43 34.68 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.84 132.89 44.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.11 1.873 . . . . 0.0 111.253 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -18.88 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.514 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . 0.446 ' HE2' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.978 174.671 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -73.18 -27.03 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.5 47.48 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' B' ' 87' ' ' ARG . 43.2 t80 -58.04 -41.61 83.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.832 0.349 . . . . 0.0 110.315 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.91 -28.99 15.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.212 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.37 -38.56 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.268 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' B' ' 84' ' ' TYR . 0.0 OUTLIER -57.64 -40.3 78.95 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 110.36 175.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -40.53 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.353 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -66.03 -35.14 79.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.61 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -62.57 -46.08 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 110.515 177.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -31.61 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.207 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.04 -35.95 72.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.233 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.629 ' HB3' HG13 ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.013 0.435 . . . . 0.0 110.341 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HG ' ' CZ3' ' A' ' 59' ' ' TRP . 6.9 mt -133.21 156.4 47.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.865 0.364 . . . . 0.0 111.254 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.31 155.91 17.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 166.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.04 -22.88 67.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.719 0.295 . . . . 0.0 111.617 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -46.89 77.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.178 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.54 -25.78 59.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.878 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 14' ' ' ILE . 44.3 t80 -67.57 -43.56 80.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.367 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -36.63 84.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.41 -37.04 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.061 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.95 -45.76 40.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.385 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 10' ' ' PHE . 19.0 pt -72.26 -39.23 63.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.57 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 1.6 mt-30 36.57 -109.18 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.422 1.089 . . . . 0.0 113.525 176.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -120.88 33.13 4.53 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.7 mm? -73.87 153.72 39.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.27 83.42 7.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.569 0.699 . . . . 0.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.99 137.57 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.506 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.51 144.56 35.85 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.399 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -61.41 -25.91 67.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.559 ' O ' HG12 ' A' ' 26' ' ' ILE . 4.0 tt0 -66.56 -47.65 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 174.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -67.49 -32.85 73.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 179.457 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 21' ' ' GLN . 90.7 mt -64.59 -41.75 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 110.262 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -33.58 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.193 176.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.615 ' HA ' ' HE2' ' A' ' 40' ' ' PHE . 27.8 mm -70.14 -46.72 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.96 70.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.715 176.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.67 -4.08 87.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.95 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG23 ' HG ' ' A' ' 31' ' ' LEU . 16.9 m -111.76 -49.0 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 117.795 0.797 . . . . 0.0 111.251 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 55' ' ' VAL . 13.1 mt -81.89 -59.27 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.499 0.19 . . . . 0.0 110.677 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -64.96 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.749 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.05 -34.71 64.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 98.05 51.02 1.53 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.594 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -143.24 159.96 53.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.921 0.361 . . . . 0.0 111.198 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.38 164.43 20.42 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.806 2.337 . . . . 0.0 112.692 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.635 ' HG2' HG21 ' A' ' 55' ' ' VAL . 22.2 mt-30 -74.26 -34.29 63.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.879 -174.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.65 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.104 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.22 90.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.465 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.615 ' HE2' ' HA ' ' A' ' 26' ' ' ILE . 1.8 t80 -67.91 -33.33 74.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -59.57 -42.36 92.28 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.92 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -28.76 67.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -73.45 -47.15 43.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.27 -20.86 19.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.677 0.275 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.49 31.74 7.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.783 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -95.23 167.62 11.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.715 0.293 . . . . 0.0 110.271 178.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.22 161.2 15.16 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -61.72 -39.91 93.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.75 93.59 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.072 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.78 -38.98 73.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 111.082 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 26' ' ' ILE . 90.5 t -69.31 -42.02 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.289 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 58.3 m -66.08 -22.95 66.43 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.847 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 10.1 tp-100 -64.76 -41.23 96.06 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -69.52 -43.68 72.56 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.054 178.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.658 HG13 HD21 ' A' ' 31' ' ' LEU . 59.3 t -61.02 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.302 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -62.75 -47.59 82.88 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.921 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HD3' ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -67.51 -43.11 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -174.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.5 t -76.59 -46.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.114 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CZ3' ' HG ' ' A' ' 5' ' ' LEU . 18.2 t-105 -65.42 -35.98 82.55 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.28 90.51 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.427 0.156 . . . . 0.0 111.328 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -28.57 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.21 -52.43 41.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.807 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.78 -27.85 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.334 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.04 -37.8 88.76 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.127 0.489 . . . . 0.0 110.388 174.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt . . . . . 0 CA--C 1.532 0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.013 177.829 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HB3' HG22 ' B' ' 75' ' ' THR . 4.8 mtt180 -95.78 116.32 28.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.041 0.448 . . . . 0.0 110.018 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.6 m -85.52 140.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.306 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.689 HG22 ' HB3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.93 125.82 32.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.351 -173.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -132.86 156.03 47.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.114 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' HB3' ' B' ' 93' ' ' ALA . 46.6 t -78.03 111.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD22 ' HG2' ' A' ' 82' ' ' GLN . 0.3 OUTLIER -155.53 150.78 21.1 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.288 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.493 ' HD2' HD23 ' A' ' 78' ' ' LEU . 40.7 Cg_endo -66.39 163.77 30.95 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.332 2.021 . . . . 0.0 113.465 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -69.91 -18.97 63.42 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.115 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -69.23 -34.8 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.643 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.701 ' HG2' HD22 ' A' ' 78' ' ' LEU . 26.6 tp60 -72.66 -31.5 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.06 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.45 -22.55 66.95 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.32 -47.23 72.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.189 0.519 . . . . 0.0 110.241 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.511 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -81.37 -32.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.545 -178.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.561 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 69.7 t -64.96 -33.29 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.814 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.55 91.43 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.889 176.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -28.0 56.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -74.39 -33.37 63.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.551 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 17.7 tt0 -72.57 -28.31 62.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.755 0.312 . . . . 0.0 110.528 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.99 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.274 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -27.04 36.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.871 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' B' ' 77' ' ' VAL . . . -69.32 -36.38 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.144 175.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -24.59 57.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 178.407 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.545 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.86 0.362 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 7.2 mt -120.54 155.47 33.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.18 169.86 10.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.028 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -35.89 78.92 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -77.98 -27.53 49.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.924 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.07 -35.6 76.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.695 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.32 -33.38 74.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.776 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.9 -49.21 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.09 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.05 -42.37 52.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 CA-C-O 119.238 -0.41 . . . . 0.0 111.731 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.522 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.4 OUTLIER 45.25 -104.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . 0.522 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -126.33 26.33 5.26 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.426 ' HA ' HD13 ' B' ' 17' ' ' LEU . 1.9 mm? -70.14 140.95 52.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.78 0.432 . . . . 0.0 110.903 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 84.27 7.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.887 0.851 . . . . 0.0 110.335 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.97 140.05 49.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.604 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.64 50.33 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.663 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.97 -29.8 69.87 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.525 0.33 . . . . 0.0 111.476 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.51 ' O ' HG12 ' B' ' 26' ' ' ILE . 1.2 tp-100 -64.19 -48.08 77.3 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 174.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.573 HG22 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.93 -33.32 75.74 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.425 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.83 -44.26 89.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.101 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -26.58 68.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.757 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.584 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 11.2 mm -68.0 -49.82 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -30.01 68.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.88 -33.93 75.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.518 ' O ' ' HE2' ' B' ' 35' ' ' LYS . . . -88.58 -4.81 75.9 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.688 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.677 HG23 ' HG ' ' B' ' 31' ' ' LEU . 15.5 m -112.02 -48.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 117.563 0.682 . . . . 0.0 111.086 174.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.677 ' HG ' HG23 ' B' ' 30' ' ' VAL . 10.0 mt -83.3 -58.38 2.86 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.319 -0.238 . . . . 0.0 110.928 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 8.3 t -66.03 -36.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.889 0.376 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.05 -37.3 58.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.313 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.545 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 96.29 51.08 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.42 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' B' ' 29' ' ' GLY . 0.0 OUTLIER -147.58 153.48 43.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.975 0.388 . . . . 0.0 110.844 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.63 166.88 14.52 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.89 2.393 . . . . 0.0 113.368 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' B' ' 55' ' ' VAL . 10.0 mt-30 -74.48 -31.49 62.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.071 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.75 90.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.794 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -43.12 99.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.584 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -71.16 -34.16 70.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.147 -178.109 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.72 84.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.004 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -34.48 62.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 m -70.62 -54.64 11.2 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.85 -7.16 54.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.09 41.06 8.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.986 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.75 165.14 11.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.592 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 51' ' ' VAL . 0.0 OUTLIER -88.25 157.08 18.88 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.421 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -41.58 90.37 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.23 -25.92 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 113.028 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -40.32 60.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 110.888 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 47' ' ' THR . 19.6 t -66.78 -46.22 86.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.026 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 45.8 m -66.03 -22.44 66.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -44.58 72.06 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.656 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.573 ' HB2' HG22 ' B' ' 23' ' ' THR . . . -68.87 -40.01 79.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.591 HG13 HD21 ' B' ' 31' ' ' LEU . 89.4 t -62.72 -45.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.35 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -64.58 -44.0 92.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.752 -178.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -65.77 -51.42 59.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 111.565 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.63 -46.0 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.095 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.518 ' HZ3' ' HG ' ' B' ' 5' ' ' LEU . 14.9 t-105 -67.1 -36.88 82.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.0 91.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.02 -28.03 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -75.9 -56.25 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.09 -47.26 52.69 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 120.689 0.281 . . . . 0.0 111.32 -175.222 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.066 0.46 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.689 ' HB3' HG22 ' A' ' 75' ' ' THR . 58.6 mtt-85 -100.75 119.89 39.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.391 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 30.3 m -84.79 141.05 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -126.43 135.56 51.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.844 -173.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.4 29.92 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.466 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.551 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -78.8 108.15 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.158 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 mt -149.1 152.64 36.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.95 170.04 19.84 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.57 2.18 . . . . 0.0 112.829 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.89 -22.81 63.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.237 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -62.34 -48.65 78.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.633 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -72.78 -29.37 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.859 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.563 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -66.4 -23.18 66.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.062 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -53.24 -48.05 68.52 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.498 0.499 . . . . 0.0 110.856 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.439 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -76.53 -27.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 -178.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.73 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.67 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -25.17 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.21 -34.61 32.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -77.53 -21.49 52.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.386 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 10.4 tt0 -59.2 -44.66 92.24 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.752 0.657 . . . . 0.0 110.778 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.74 62.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.699 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.4 -30.79 37.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.354 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.232 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.765 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' HZ3' ' A' ' 59' ' ' TRP . 4.7 tp -111.05 160.82 16.5 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.806 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -99.92 167.13 10.71 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.81 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.98 75.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.443 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -77.01 -23.53 52.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.629 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.31 -40.68 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 110.25 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.61 -39.29 80.92 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.865 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -29.63 69.94 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.786 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . . . -75.66 -33.51 60.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.316 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 pt -106.1 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -48.04 70.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.93 -14.17 63.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.491 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.9 mm? -85.49 158.84 20.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.703 0.287 . . . . 0.0 110.569 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -109.26 91.62 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.0 109.706 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.13 142.5 37.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.26 143.49 44.56 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.342 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.57 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.58 0.352 . . . . 0.0 111.841 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -64.8 -50.87 65.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.492 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -66.32 -34.17 77.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.205 178.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.39 -35.46 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.854 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.41 -32.79 70.55 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.422 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 23' ' ' THR . 33.3 mt -71.83 -47.05 58.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.212 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' ' 30' ' ' VAL . . . -67.24 -19.87 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.712 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.67 -29.03 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 175.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.33 -45.29 1.72 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.829 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 27' ' ' ALA . 27.3 m -73.55 -24.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.24 0.52 . . . . 0.0 112.341 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD11 ' CE3' ' A' ' 59' ' ' TRP . 6.4 tp -107.43 -52.59 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 18.4 t -67.95 -50.09 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.78 -23.55 39.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 76.19 38.74 33.72 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.828 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -86.56 147.27 43.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.693 -0.253 . . . . 0.0 111.039 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.66 132.08 48.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.156 2.571 . . . . 0.0 112.936 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -73.47 -27.56 61.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.979 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HA ' ' HG3' ' A' ' 48' ' ' ARG . . . -65.36 -40.16 93.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -75.71 -39.06 58.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.762 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -33.33 75.39 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.222 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.673 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -61.45 -41.11 96.71 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.46 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -26.16 59.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.618 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -73.75 -44.26 56.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.693 0.282 . . . . 0.0 111.253 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -33.08 37.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.159 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.86 11.15 50.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.86 168.71 10.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 156.16 38.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -62.16 -37.97 87.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.005 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -25.62 72.98 Favored Glycine 0 C--N 1.335 0.482 0 O-C-N 123.62 0.575 . . . . 0.0 113.223 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.62 42.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.423 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 41' ' ' ALA . 54.9 t -72.4 -40.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.575 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.55 ' HA ' HG12 ' A' ' 55' ' ' VAL . 25.5 p -74.13 -17.49 60.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.29 -33.72 76.64 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.131 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -74.1 -45.1 51.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.821 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 52' ' ' SER . 8.1 p -66.0 -38.79 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -67.63 -41.57 83.7 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.521 177.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 1.4 tpt180 -62.2 -56.54 17.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -175.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.32 -40.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.011 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.492 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 44.1 t-105 -69.28 -31.51 70.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.36 92.48 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.648 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.21 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.42 -44.96 73.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.68 -27.84 64.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.92 0.39 . . . . 0.0 111.184 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -15.38 61.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 177.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.786 ' HE3' ' HA ' ' A' ' 13' ' ' ALA . 24.6 mttm . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -84.79 105.31 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.0 m -93.35 138.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.283 0.563 . . . . 0.0 110.748 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 132.32 53.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.6 171.3 14.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG22 ' HD2' ' B' ' 73' ' ' ARG . 6.6 t -109.16 125.67 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 77' ' ' VAL . 3.2 mt -156.85 152.18 21.84 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 123.491 0.495 . . . . 0.0 109.735 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.88 152.09 72.87 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.175 1.917 . . . . 0.0 111.53 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 3.0 mt-10 -72.29 -19.33 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.09 -37.03 84.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.848 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -73.3 -36.5 66.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.415 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.09 -22.58 66.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -52.5 -45.5 66.22 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.224 0.61 . . . . 0.0 110.353 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -33.84 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.575 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 92.9 t -66.41 -31.7 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.243 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 88' ' ' LYS . 25.0 mmmt -78.34 -34.17 48.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.128 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -69.88 -33.45 72.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.968 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -33.85 75.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.738 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.71 83.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.607 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -20.86 43.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.217 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -75.73 -27.22 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.335 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.16 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.692 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.1 mtp-105 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' B' ' 5' ' ' LEU . 6.2 tp -131.61 146.47 52.22 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.724 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 157.0 27.8 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.511 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.6 mt-10 -63.54 -23.24 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -49.46 68.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.746 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -77.82 -26.14 49.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 46.4 t80 -65.51 -47.72 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.208 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -70.03 -27.88 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.634 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -34.24 77.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.978 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.33 73.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.544 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pt -95.25 5.21 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.766 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.57 91.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.371 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.72 18.5 31.94 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -121.11 130.33 53.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.719 0.295 . . . . 0.0 110.464 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.493 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -92.0 84.61 5.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 110.206 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.79 152.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 141.86 43.92 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.247 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HA ' HD12 ' B' ' 24' ' ' ILE . 8.9 mm-40 -62.02 -25.59 67.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.854 0.462 . . . . 0.0 112.191 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -44.68 89.74 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.014 0.196 . . . . 0.0 110.667 177.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.585 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.81 -35.15 78.11 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.947 0.403 . . . . 0.0 111.038 177.14 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 21' ' ' GLN . 85.8 mt -65.38 -41.96 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.475 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -26.29 65.47 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.778 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' B' ' 23' ' ' THR . 46.1 mt -71.54 -46.36 63.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 109.739 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.58 -19.74 65.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.464 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.572 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.3 mtp180 -61.15 -28.62 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.823 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.18 -48.57 1.43 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.834 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 m -77.22 -22.3 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 117.536 0.668 . . . . 0.0 112.702 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' B' ' 59' ' ' TRP . 0.4 OUTLIER -106.4 -50.2 3.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.73 0.3 . . . . 0.0 111.066 -177.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 79.1 t -71.18 -53.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.946 0.403 . . . . 0.0 111.337 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -81.82 -16.98 49.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.692 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 70.13 42.04 68.43 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.84 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -85.74 146.84 44.67 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.18 . . . . 0.0 110.728 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.59 132.68 47.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.96 -25.09 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.539 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.92 77.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.474 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -37.08 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.453 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.404 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.8 OUTLIER -66.33 -38.94 88.83 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.625 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -64.02 -51.91 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.406 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -23.63 60.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.7 m -76.2 -36.31 58.69 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.402 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.76 -5.44 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.55 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 23.28 68.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.497 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.99 167.8 11.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.909 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.04 154.99 35.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -69.23 -39.02 78.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.341 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.52 -26.55 72.94 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.568 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.7 58.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.718 0.294 . . . . 0.0 111.352 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.625 HG21 ' HA ' ' B' ' 41' ' ' ALA . 41.1 t -69.29 -40.27 80.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.271 0.558 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.4 m -73.22 -19.62 61.05 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.563 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -33.54 69.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.587 0.232 . . . . 0.0 110.86 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -43.53 70.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.339 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.25 -35.0 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.29 66.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.487 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -52.08 48.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.49 -43.73 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 123.249 0.343 . . . . 0.0 111.196 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.435 ' HB2' HD11 ' B' ' 31' ' ' LEU . 42.8 t-105 -64.09 -45.37 89.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.517 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.18 79.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.585 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.81 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.199 0.312 . . . . 0.0 110.977 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -72.84 -43.34 62.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.069 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.61 -35.23 70.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.407 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.481 ' HD2' HG22 ' A' ' 77' ' ' VAL . 2.0 mmm180 -96.57 104.76 16.77 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 83' ' ' ALA . 34.5 m -96.1 134.59 33.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.438 0.637 . . . . 0.0 112.001 -169.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.66 114.49 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.157 177.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.58 146.01 50.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.972 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -78.1 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.214 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.82 148.66 17.32 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.579 0.228 . . . . 0.0 110.642 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' B' ' 82' ' ' GLN . 28.5 Cg_endo -65.57 147.2 86.24 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.004 1.803 . . . . 0.0 110.78 169.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -35.62 70.05 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -42.41 80.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.554 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . 0.0 OUTLIER -72.7 -29.52 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 177.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.46 66.62 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.002 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -53.07 -42.72 66.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.094 0.474 . . . . 0.0 110.396 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.424 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.3 OUTLIER -80.47 -28.72 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.958 -178.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.17 -32.69 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.964 0.411 . . . . 0.0 110.192 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -33.97 77.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.74 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -28.42 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.57 ' HA ' ' HB2' ' B' ' 92' ' ' ASP . 12.4 m95 -81.59 -19.95 40.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.35 -42.94 95.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.645 0.736 . . . . 0.0 109.283 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.15 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.948 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.57 ' HB2' ' HA ' ' B' ' 89' ' ' TRP . 1.2 t0 -70.69 -37.77 73.63 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 110.464 176.778 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.509 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 121.0 0.428 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 tp -117.15 165.23 13.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.455 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.74 162.73 13.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.924 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HG3' HG11 ' A' ' 32' ' ' VAL . 4.3 mt-10 -67.07 -36.6 82.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 111.099 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.1 75.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.141 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -77.91 -31.43 51.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.471 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -66.01 -47.55 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.132 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -32.4 72.66 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.81 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.35 -39.45 93.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -72.5 -45.22 60.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.756 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.99 3.86 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -58.63 6.09 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.07 16.47 20.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.239 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.6 mm? -92.93 121.41 34.25 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.23 84.58 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.341 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.03 29.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.242 177.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 146.12 43.88 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.897 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.22 -18.14 65.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.58 -44.5 74.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.326 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.644 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -73.2 -35.2 66.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.5 -36.37 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.743 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -34.49 77.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 23' ' ' THR . 34.6 mt -67.02 -50.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -67.52 -37.88 83.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -95.01 -31.76 7.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.05 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.799 HG11 HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -76.51 -43.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -176.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 92.2 mt -94.67 -55.87 2.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.408 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.473 HG11 ' HG3' ' A' ' 7' ' ' GLU . 4.9 t -69.67 -46.07 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -173.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 28.2 t0 -79.8 -21.15 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 0.0 109.881 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 86.17 51.05 3.66 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.995 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -103.73 133.97 19.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 120.411 0.148 . . . . 0.0 110.721 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 5.7 Cg_exo -76.2 57.1 5.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.649 2.9 . . . . 0.0 114.771 -175.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.21 -83.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 168.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -27.58 69.4 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -169.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.81 82.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.092 0.472 . . . . 0.0 110.645 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 1.6 t80 -69.91 -32.74 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.57 73.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.399 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.62 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -68.81 -44.24 73.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -90.95 -15.08 30.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 30.38 25.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.824 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.7 mt -108.16 163.43 13.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.85 155.95 32.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.411 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -66.05 -37.37 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.24 -34.64 69.5 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.811 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.14 75.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.622 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.523 ' HA ' HD13 ' A' ' 26' ' ' ILE . 22.8 t -62.12 -49.55 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.906 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 m -66.58 -26.09 66.95 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.677 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -33.55 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.83 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.593 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.5 -42.33 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.799 HG22 HG11 ' A' ' 30' ' ' VAL . 2.0 t -60.79 -43.27 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -65.27 -45.08 85.96 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -52.73 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.52 -39.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -67.91 -38.43 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.598 178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.04 89.62 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.708 0.289 . . . . 0.0 110.992 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -68.49 -37.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.688 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.42 -51.13 62.4 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.389 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -38.79 75.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.969 -174.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.33 -39.81 64.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.529 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 76' ' ' ALA . 40.1 ttp85 -101.52 115.93 31.62 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.456 HG12 ' HB2' ' B' ' 83' ' ' ALA . 35.5 m -90.13 106.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.373 1.082 . . . . 0.0 111.204 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -113.32 113.76 25.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.627 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.26 170.17 19.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.577 HG23 ' HG2' ' B' ' 90' ' ' GLU . 0.4 OUTLIER -91.11 136.2 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.773 176.669 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.543 ' HG ' ' HD2' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -157.1 147.55 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.847 -178.036 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.543 ' HD2' ' HG ' ' A' ' 78' ' ' LEU . 52.5 Cg_exo -55.74 132.97 55.27 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.267 1.978 . . . . 0.0 111.319 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -64.41 -22.83 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.21 -46.35 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.726 0.298 . . . . 0.0 110.68 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -71.94 -34.84 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.333 174.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB1' HG11 ' B' ' 74' ' ' VAL . . . -68.04 -22.68 64.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.278 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -53.42 -47.08 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.204 0.526 . . . . 0.0 110.302 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.814 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' GLN . 60.0 t -70.24 -31.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.281 177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -67.17 -27.67 67.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -33.07 35.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 109.924 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -70.9 -18.74 62.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.927 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.556 ' CG ' ' HA ' ' B' ' 76' ' ' ALA . 0.5 OUTLIER -62.84 -50.45 70.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.597 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.88 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.983 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 11.6 t0 -78.89 -40.72 31.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.675 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.52 -35.44 73.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.926 0.394 . . . . 0.0 110.672 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.0 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.548 175.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.287 179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 1.8 ttt180 . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -125.9 152.89 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.387 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 155.99 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.33 -22.86 67.09 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.35 86.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.717 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -78.34 -28.54 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.918 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -63.81 -47.14 82.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.73 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -35.02 79.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.272 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -65.19 -35.72 81.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.044 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.16 -41.53 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.209 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -90.99 -5.5 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -61.14 2.5 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.84 25.58 24.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.642 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.501 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.6 OUTLIER -113.13 126.51 55.53 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.899 0.381 . . . . 0.0 110.373 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.37 84.12 6.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.478 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.49 146.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.561 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 152.3 51.25 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.301 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.58 -17.39 64.8 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.672 0.272 . . . . 0.0 110.326 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.689 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.51 -40.71 96.14 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.257 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' B' ' 21' ' ' GLN . 30.8 mt -69.97 -34.45 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.768 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -38.19 65.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.568 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.543 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 60.6 mt -66.56 -50.11 69.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.23 -25.44 68.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.842 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -72.27 -38.07 68.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.04 178.332 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 -0.58 57.43 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.471 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.627 HG11 HG22 ' B' ' 55' ' ' VAL . 1.4 t -112.52 -48.64 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.828 HD21 HG13 ' B' ' 55' ' ' VAL . 63.1 mt -89.05 -52.67 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.079 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 23.8 t -67.51 -40.79 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.009 0.433 . . . . 0.0 111.331 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.43 -28.12 52.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.302 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.584 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 82.09 51.11 4.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.884 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 142.35 33.06 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.749 -0.225 . . . . 0.0 110.714 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.93 154.32 73.77 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.501 2.134 . . . . 0.0 112.366 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -29.75 69.12 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.204 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.46 92.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.209 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.01 -31.68 72.72 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.394 0.434 . . . . 0.0 111.694 -174.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.5 78.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.973 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -37.07 60.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.902 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -55.8 11.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 0.0 111.811 -176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -88.61 -10.5 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.125 -174.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 41.04 19.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.82 167.75 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.812 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.98 156.5 18.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.568 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -39.23 85.7 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.082 0.239 . . . . 0.0 111.609 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.39 -28.71 73.89 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.936 -0.574 . . . . 0.0 113.145 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.76 32.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.812 0.306 . . . . 0.0 111.167 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.45 ' O ' HG23 ' B' ' 55' ' ' VAL . 59.7 t -63.57 -49.5 82.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.366 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -71.67 -18.22 62.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.896 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -35.2 74.09 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.429 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.689 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -72.67 -38.34 67.63 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.828 HG13 HD21 ' B' ' 31' ' ' LEU . 21.2 t -60.59 -43.37 94.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.873 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.34 -51.15 62.51 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.576 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -49.52 74.09 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -170.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.06 -40.86 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.021 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.475 ' HE3' HD13 ' B' ' 31' ' ' LEU . 9.7 t-105 -68.97 -40.07 79.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.458 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.73 70.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.124 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -75.15 -33.07 61.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -31.01 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 174.753 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.637 0.256 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -89.71 105.91 18.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 170.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.653 HG11 ' HB1' ' A' ' 83' ' ' ALA . 4.5 m -88.2 140.63 15.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.568 -171.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -102.87 114.59 29.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.462 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.556 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . . . -128.75 169.01 15.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.485 ' H ' ' HG2' ' A' ' 90' ' ' GLU . 53.4 t -122.57 124.59 71.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.511 HD22 ' HG2' ' B' ' 82' ' ' GLN . 0.2 OUTLIER -158.94 155.52 24.69 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.005 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.45 ' HD2' HD23 ' B' ' 78' ' ' LEU . 51.3 Cg_exo -54.63 153.8 22.53 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.488 2.125 . . . . 0.0 112.653 177.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -18.46 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.385 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -62.54 -37.76 87.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.944 0.402 . . . . 0.0 110.539 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.511 ' HG2' HD22 ' B' ' 78' ' ' LEU . 19.7 tp60 -71.74 -39.93 69.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.6 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.41 -22.78 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.562 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.35 -49.56 64.08 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 123.469 0.48 . . . . 0.0 110.19 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.06 -32.66 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.348 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 93.5 t -64.92 -34.5 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 87' ' ' ARG . 4.8 ttm105 -67.43 -29.14 68.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -76.92 -30.43 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.274 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -79.37 -24.53 42.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.004 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.577 ' HG2' HG23 ' A' ' 77' ' ' VAL . 1.7 tt0 -64.75 -46.95 80.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.461 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.78 64.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.786 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -67.82 -49.87 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.736 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 179.193 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 5.0 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.707 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.1 tp -121.69 134.6 54.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.94 153.99 28.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.517 -177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -51.58 -46.49 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -67.22 -38.7 85.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.044 0.449 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CE1' HG11 ' A' ' 58' ' ' VAL . 83.6 t80 -57.92 -41.57 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.954 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -66.38 -42.53 87.79 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.15 -41.72 98.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.474 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -61.05 -49.57 76.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.927 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 pt -79.82 -26.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -59.09 -26.71 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.1 0.476 . . . . 0.0 111.946 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -93.75 3.77 71.44 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.004 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -121.14 158.24 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.312 0.577 . . . . 0.0 111.87 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 85.23 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.748 174.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.88 141.33 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.394 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.03 174.43 49.24 Favored Glycine 0 N--CA 1.438 -1.203 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.361 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.54 -36.93 81.96 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.067 -0.567 . . . . 0.0 111.968 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' HG13 ' A' ' 26' ' ' ILE . 37.2 mt-30 -58.8 -51.08 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 54' ' ' ALA . 42.1 m -59.2 -39.53 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.633 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.17 -51.04 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.83 -31.81 72.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.458 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 88.0 mt -66.59 -49.15 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.615 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.431 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.691 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 24.5 ttm-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.216 0.532 . . . . 0.0 110.151 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.98 -46.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.081 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 55' ' ' VAL . 2.6 t -61.97 -41.45 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 123.224 0.61 . . . . 0.0 111.825 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.615 HD12 ' HB1' ' A' ' 27' ' ' ALA . 73.4 mt -98.34 -54.25 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 41.7 t -67.33 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -172.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.23 -10.52 44.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.524 0.678 . . . . 0.0 109.949 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.474 ' N ' ' HG3' ' A' ' 4' ' ' ARG . . . 68.26 28.37 73.34 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.878 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.719 ' HD3' ' HD1' ' A' ' 40' ' ' PHE . 37.8 tttp -76.87 133.94 69.13 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 114.756 -0.722 . . . . 0.0 110.63 -172.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.444 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 75.8 Cg_exo -50.35 127.08 19.18 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 123.133 2.555 . . . . 0.0 112.419 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.1 -37.57 85.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.194 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.8 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.317 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 p -66.33 -24.55 66.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.718 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.719 ' HD1' ' HD3' ' A' ' 35' ' ' LYS . 12.9 t80 -70.99 -51.49 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -53.35 -49.71 66.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.348 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -61.94 -32.05 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.81 0.338 . . . . 0.0 111.491 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.449 ' HB3' HD22 ' A' ' 44' ' ' LEU . 20.6 t -79.37 -44.55 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 111.023 -176.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 43' ' ' SER . 3.0 mm? -94.01 -4.26 49.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.845 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.18 34.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.761 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 27.6 mt -96.39 163.73 12.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.452 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -89.28 156.51 18.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.637 ' H ' ' HD2' ' A' ' 48' ' ' ARG . 3.4 mpt_? -62.99 -39.05 93.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.11 0.481 . . . . 0.0 109.826 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.11 -40.65 98.29 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.77 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.48 93.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.882 0.341 . . . . 0.0 111.067 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' ' 41' ' ' ALA . 45.5 t -66.39 -45.51 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.345 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 55' ' ' VAL . 41.2 m -62.87 -30.05 71.22 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.762 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.7 tt0 -67.89 -46.78 70.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.767 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -64.5 -43.66 93.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.554 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.587 HG23 HD21 ' A' ' 31' ' ' LEU . 6.2 p -66.83 -45.17 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.238 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.56 -46.03 77.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -58.31 -57.86 11.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -173.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG11 ' CE1' ' A' ' 10' ' ' PHE . 77.0 t -64.63 -43.76 96.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -176.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 60.0 t-105 -64.5 -44.93 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.523 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -38.66 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.09 93.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.537 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.4 -47.87 83.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.181 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.73 -35.37 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.717 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.43 -41.55 84.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.156 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -121.41 131.7 54.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.113 0.482 . . . . 0.0 110.0 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.631 HG12 ' HB2' ' B' ' 83' ' ' ALA . 33.4 m -97.66 148.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -135.94 133.17 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.766 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' HB2' ' CG1' ' B' ' 86' ' ' VAL . . . -148.87 153.94 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.342 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.648 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 50.3 t -79.31 122.32 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 171.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 mt -151.26 153.69 32.9 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.02 139.74 60.8 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.058 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.82 -29.97 65.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.192 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -71.56 -24.41 61.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.1 mm-40 -71.52 -27.95 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.278 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.588 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.19 -24.87 65.12 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.74 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -56.4 -47.2 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.507 0.67 . . . . 0.0 109.991 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' H ' HG13 ' A' ' 85' ' ' ILE . 2.4 mt -83.58 -28.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.938 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 72.0 t -61.92 -43.27 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.659 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 87' ' ' ARG . 38.3 ttp180 -63.18 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -62.33 -50.99 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.272 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -61.58 -39.56 91.62 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.738 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.777 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.1 tt0 -55.54 -48.06 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.256 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.82 44.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.76 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -70.67 -42.48 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.196 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.483 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.44 -43.11 91.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.386 . . . . 0.0 110.845 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -66.65 -23.41 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.114 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 179.382 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.505 ' HG3' ' CA ' ' B' ' 34' ' ' GLY . 12.6 ttm180 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.893 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 30.4 tp -128.61 156.04 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.25 154.12 19.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 31.7 tt0 -61.79 -19.72 62.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.673 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.8 p -68.25 -54.28 18.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.504 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -71.02 -28.63 64.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.13 0.491 . . . . 0.0 110.386 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 84.6 t80 -59.21 -41.25 88.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.264 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -71.71 -37.89 70.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.14 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.24 -39.4 90.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.967 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.12 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.044 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 45.1 pt -75.29 -16.49 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.86 -28.22 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 111.387 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . 0.422 ' C ' HD22 ' B' ' 17' ' ' LEU . . . -89.04 2.49 84.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.39 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.422 HD22 ' C ' ' B' ' 16' ' ' GLY . 3.6 mm? -123.39 144.73 49.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.636 0.255 . . . . 0.0 110.966 -177.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -92.79 82.76 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.252 1.025 . . . . 0.0 109.67 170.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.621 HG23 HD11 ' B' ' 24' ' ' ILE . 6.4 m -114.74 135.48 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.204 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 171.62 55.16 Favored Glycine 0 N--CA 1.433 -1.544 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.699 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.36 -27.04 67.08 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.859 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.1 -40.89 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.466 HG23 ' HA ' ' B' ' 54' ' ' ALA . 25.7 m -79.99 -38.34 32.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.323 0.582 . . . . 0.0 110.33 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.621 HD11 HG23 ' B' ' 19' ' ' VAL . 59.0 mt -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.862 -174.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.13 -34.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.604 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 57.5 mt -72.15 -49.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.58 -29.44 70.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.091 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.473 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 49.7 ttm-85 -59.83 -29.42 68.25 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.899 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.8 -46.97 0.99 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.984 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.14 -43.44 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 C-N-CA 123.007 0.523 . . . . 0.0 111.715 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.672 HD21 HG23 ' B' ' 55' ' ' VAL . 69.9 mt -92.91 -60.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.489 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 26.1 t -63.38 -43.66 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.876 -173.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.5 -7.87 49.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 109.93 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 63.48 28.02 71.77 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.044 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -75.53 139.18 70.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.565 -0.318 . . . . 0.0 111.42 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' OG1' ' B' ' 39' ' ' THR . 50.3 Cg_exo -53.84 129.92 36.56 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.35 2.7 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.49 -39.97 92.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.208 -170.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.82 94.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.953 0.406 . . . . 0.0 111.355 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 1.3 p -74.61 -23.08 58.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.279 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 10.0 t80 -71.08 -50.65 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.833 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -51.18 -54.08 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.52 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.033 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -80.82 -38.75 27.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -99.75 3.48 44.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.34 34.58 50.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.809 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.833 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 25.0 mt -95.35 164.08 12.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.988 0.423 . . . . 0.0 110.352 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.2 p -98.21 166.31 11.46 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.725 ' HD2' ' H ' ' B' ' 48' ' ' ARG . 1.1 mpt_? -67.71 -37.31 82.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.0 -43.28 82.67 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.4 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.17 -46.05 91.03 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.707 0.254 . . . . 0.0 111.126 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.723 HG21 ' HB2' ' B' ' 41' ' ' ALA . 95.4 t -60.62 -45.56 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 110.557 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.4 m -66.3 -33.59 76.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.981 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.21 -45.38 73.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.857 0.36 . . . . 0.0 110.637 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.466 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -63.95 -45.12 90.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.443 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.672 HG23 HD21 ' B' ' 31' ' ' LEU . 7.3 p -67.77 -38.54 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.43 -50.6 64.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.006 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.19 -51.86 61.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.766 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.07 -46.05 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.747 0.308 . . . . 0.0 111.254 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.893 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 61.5 t-105 -65.35 -38.4 89.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.245 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.24 75.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.86 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.064 0.459 . . . . 0.0 110.204 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.19 -44.17 76.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.917 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.73 -42.72 93.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.328 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--N 1.327 -0.384 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.696 178.717 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 10.1 ptp180 -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.868 0.365 . . . . 0.0 110.258 177.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.7 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.176 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.4 m -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.716 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.508 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . . . -140.33 146.23 38.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.375 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.777 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 67.0 t -78.67 110.97 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.517 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -150.74 146.17 19.18 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.04 152.72 49.66 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 0.0 112.275 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.45 -27.43 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.124 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.18 -28.05 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.481 ' O ' HG23 ' B' ' 86' ' ' VAL . 84.4 mm-40 -72.1 -34.25 68.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.176 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.631 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -59.92 -23.38 63.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -176.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.46 -48.38 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.404 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.8 mt -84.61 -35.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.471 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 97.7 t -57.87 -42.58 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.87 -35.09 77.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.421 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -71.14 -43.68 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.644 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -65.68 -31.64 72.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 42.9 tt0 -60.53 -42.06 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.113 0.482 . . . . 0.0 110.129 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.0 -30.4 55.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.575 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.67 -37.58 86.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 110.742 177.678 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.795 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.171 0.51 . . . . 0.0 110.456 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 3.5 tp -121.35 145.68 47.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.096 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 8.3 mt-10 -64.14 -22.14 66.82 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -49.12 73.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -78.72 -23.89 45.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.748 179.291 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 65.0 t80 -63.14 -42.03 99.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.674 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -31.93 72.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.387 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.52 -38.63 90.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.698 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.65 77.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.578 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.45 2.83 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.32 -37.05 84.48 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.722 0.296 . . . . 0.0 110.945 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.22 26.57 19.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.195 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -133.91 140.98 47.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.406 -179.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.61 85.35 2.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 171.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.91 173.42 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.788 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 135.72 45.95 Favored Glycine 0 C--N 1.315 -0.595 0 CA-C-N 114.418 -1.264 . . . . 0.0 112.311 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -71.74 -18.14 62.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.295 . . . . 0.0 111.513 -176.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -43.95 93.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 176.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -65.56 -35.6 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 177.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 21' ' ' GLN . 70.4 mt -68.27 -36.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.329 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.2 -37.32 85.29 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.474 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.676 HG21 ' HA ' ' A' ' 51' ' ' VAL . 21.5 mt -71.6 -49.44 46.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -21.03 66.14 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.966 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.14 -29.01 69.81 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 177.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 -26.32 5.55 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.292 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -86.3 -40.71 14.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.877 0.37 . . . . 0.0 111.061 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.421 HD12 HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -94.68 -45.77 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.178 -177.102 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 55.2 t -74.35 -56.22 9.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 111.611 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -28.59 61.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.463 0.649 . . . . 0.0 109.741 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.795 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 77.55 43.57 15.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.146 -0.933 . . . . 0.0 112.022 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -90.1 144.42 31.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.189 . . . . 0.0 110.73 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 53.1 Cg_exo -55.79 130.77 42.16 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.126 2.55 . . . . 0.0 112.441 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.05 -30.85 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.098 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.37 66.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.007 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -68.27 -34.15 75.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.645 -178.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.54 -38.38 90.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 110.633 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.57 85.4 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.428 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -30.2 64.91 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 -41.73 34.42 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.663 0.245 . . . . 0.0 111.663 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HB3' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -91.88 -7.62 48.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.77 19.72 62.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.118 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -93.82 161.21 14.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -177.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -83.6 157.78 22.15 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -33.26 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.57 73.72 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.708 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.99 -40.46 27.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.676 ' HA ' HG21 ' A' ' 26' ' ' ILE . 97.5 t -68.87 -40.46 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.98 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.477 ' HA ' HG12 ' A' ' 55' ' ' VAL . 14.7 m -74.21 -19.82 60.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.229 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -69.93 -39.02 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.12 -45.96 79.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.722 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 11.0 p -67.15 -36.58 77.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.162 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -66.15 -44.41 84.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.755 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.36 -57.31 5.46 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -171.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.38 -37.38 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.32 . . . . 0.0 111.283 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -61.41 -44.35 97.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.949 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.62 70.63 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.16 95.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.388 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.05 -32.35 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.803 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -45.4 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -71.78 -28.78 63.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.643 0.259 . . . . 0.0 110.885 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 105.89 11.44 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.55 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.9 m -106.48 129.55 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.712 0.768 . . . . 0.0 112.106 -173.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -105.13 132.26 51.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.04 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.55 158.78 44.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 20.4 t -86.04 122.14 38.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.96 146.43 18.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' B' ' 93' ' ' ALA . 34.0 Cg_exo -60.95 148.78 91.61 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.637 2.224 . . . . 0.0 112.134 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -65.03 -32.54 74.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.527 -176.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.46 -41.39 98.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -73.53 -29.95 62.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -66.82 -21.55 66.03 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.666 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -52.29 -44.14 64.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.123 0.487 . . . . 0.0 110.49 173.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.428 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -80.36 -36.18 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.19 -37.83 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.378 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -30.84 71.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.856 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -26.99 49.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.419 177.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -79.46 -17.66 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.474 ' HG2' ' HB1' ' B' ' 76' ' ' ALA . 38.2 mt-10 -58.74 -40.99 85.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.179 0.514 . . . . 0.0 110.772 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -23.07 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.98 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -25.98 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.69 71.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.212 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -75.94 -19.26 58.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.815 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.263 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.513 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 2.4 mtp180 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 5' ' ' LEU . 6.2 tp -135.89 149.64 49.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.047 178.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.79 159.17 25.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.9 -38.39 72.75 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -40.2 83.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.135 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.04 -26.92 48.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.993 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.49 -45.04 89.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -69.83 -26.87 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.935 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -33.51 73.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.51 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.26 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.561 ' HA ' ' HB2' ' B' ' 17' ' ' LEU . 2.5 pt -84.29 6.62 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -49.85 27.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.944 0.898 . . . . 0.0 112.723 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.43 19.9 23.72 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.191 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' B' ' 14' ' ' ILE . 0.3 OUTLIER -94.75 99.41 11.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.167 0.508 . . . . 0.0 111.184 -177.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.05 84.15 4.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.005 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 m -129.14 178.75 4.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.914 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 132.35 35.77 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.415 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.834 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.2 tt0 -67.61 -17.56 64.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -58.91 -43.04 91.0 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.849 0.295 . . . . 0.0 110.774 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.681 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.3 OUTLIER -60.55 -40.1 90.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.136 0.493 . . . . 0.0 111.129 175.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' B' ' 21' ' ' GLN . 17.5 mt -69.95 -34.25 59.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.294 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 80.9 mm-40 -60.09 -41.98 93.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.854 0.462 . . . . 0.0 110.683 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' B' ' 54' ' ' ALA . 13.7 mt -72.4 -49.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.612 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.33 -22.35 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.437 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 3.8 ttm105 -65.8 -29.1 69.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.263 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.2 -31.42 3.31 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.631 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.6 -44.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.006 0.432 . . . . 0.0 110.542 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.596 HD11 ' HE3' ' B' ' 59' ' ' TRP . 0.9 OUTLIER -91.87 -45.32 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 15.9 t -76.3 -53.41 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 19.6 t70 -74.28 -29.21 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.253 0.549 . . . . 0.0 109.962 -177.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 83.99 43.61 7.08 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.899 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.477 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -96.92 140.18 21.97 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.391 . . . . 0.0 110.775 -178.019 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.477 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 88.7 Cg_exo -50.35 141.47 32.09 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.134 2.556 . . . . 0.0 112.578 173.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -76.93 -34.57 57.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.504 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.17 68.35 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -39.37 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.269 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.52 -32.52 73.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.957 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.26 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.72 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -46.52 33.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -63.37 -51.11 67.25 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' B' ' 46' ' ' LEU . 7.8 mt -95.66 -8.04 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.289 . . . . 0.0 111.543 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.22 33.53 32.1 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.336 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -89.92 168.88 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.243 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.99 169.88 10.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -46.63 81.94 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 111.053 -177.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.97 74.83 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.696 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.91 71.52 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.629 0.252 . . . . 0.0 111.371 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.65 -41.09 87.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 10.2 m -68.28 -27.16 66.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.474 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.535 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 5.4 tp-100 -66.83 -37.78 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.629 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.681 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -67.84 -45.84 73.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.973 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.35 -38.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.375 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -68.23 -47.47 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 179.307 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.0 OUTLIER -69.78 -46.72 65.13 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -171.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.75 -40.06 85.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.372 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.596 ' HE3' HD11 ' B' ' 31' ' ' LEU . 56.5 t-105 -60.01 -47.82 84.26 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.055 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -30.99 71.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.888 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.34 83.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.968 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -75.61 -36.63 60.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.961 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.5 -37.65 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.517 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 t0 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 110.986 178.403 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.12 104.45 16.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.426 HG11 ' HB2' ' A' ' 83' ' ' ALA . 27.1 m -104.11 116.74 48.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.314 -174.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -99.5 114.29 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.34 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.474 ' HB1' ' HG2' ' A' ' 90' ' ' GLU . . . -131.71 153.69 49.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.97 113.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 151.21 34.2 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.628 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.62 150.45 85.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.793 2.328 . . . . 0.0 113.12 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.87 69.58 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.899 -176.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -69.87 -39.2 76.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.893 0.377 . . . . 0.0 110.612 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -72.7 -26.83 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.908 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.55 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -62.89 -22.56 66.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.475 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.38 -46.96 69.84 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.423 0.63 . . . . 0.0 110.435 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.409 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.2 OUTLIER -79.95 -25.66 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.067 -177.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 45.9 t -69.61 -31.14 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -28.86 66.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -76.51 -33.82 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.038 0.447 . . . . 0.0 110.481 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -73.14 -26.72 61.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.128 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 3.5 tt0 -63.03 -35.35 79.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.961 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.65 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.492 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.21 -31.48 38.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.125 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.632 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 2.9 mpt_? . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.6 tp -112.14 159.39 18.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.143 -176.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.2 151.64 22.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 42.9 mt-10 -68.57 -21.27 64.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.917 -172.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -63.56 -55.33 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -70.54 -23.88 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 24' ' ' ILE . 77.0 t80 -64.2 -45.95 86.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.577 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.47 -32.44 72.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.637 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 37.2 mt-10 -72.11 -43.93 63.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.02 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -61.26 -30.32 70.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.253 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 10' ' ' PHE . 41.5 pt -96.14 -11.91 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -42.49 -60.03 1.66 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.62 18.46 32.25 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.508 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -102.77 148.33 25.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 111.332 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.76 84.84 7.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.59 128.61 60.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.159 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.3 172.49 49.13 Favored Glycine 0 N--CA 1.433 -1.552 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.052 175.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -53.97 -37.32 63.84 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 123.756 0.327 . . . . 0.0 111.347 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 26' ' ' ILE . 95.6 mt-30 -59.23 -51.74 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.933 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' ' 54' ' ' ALA . 25.5 m -61.78 -38.6 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.409 0.623 . . . . 0.0 110.291 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 10' ' ' PHE . 75.6 mt -69.02 -46.97 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.843 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.74 -31.22 67.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.416 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 22' ' ' GLN . 89.2 mt -69.5 -46.13 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HA ' HG22 ' A' ' 30' ' ' VAL . . . -64.62 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.676 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 54.6 ttt180 -58.31 -28.89 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.292 0.568 . . . . 0.0 110.007 176.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.637 ' HA3' ' HZ ' ' A' ' 40' ' ' PHE . . . -93.69 -60.39 1.15 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.556 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 33.9 m -63.54 -29.38 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 117.302 0.551 . . . . 0.0 112.234 -174.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.721 HD21 HG23 ' A' ' 55' ' ' VAL . 91.9 mt -102.82 -61.38 1.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.237 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.676 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.5 t -63.66 -43.48 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.031 0.443 . . . . 0.0 111.3 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 23.2 t70 -86.53 -18.41 31.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.514 0.673 . . . . 0.0 109.777 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 68.72 29.8 72.73 Favored Glycine 0 CA--C 1.504 -0.606 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.013 -174.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 30' ' ' VAL . 21.6 ttmm -82.4 136.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.697 -0.751 . . . . 0.0 111.175 -170.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 64.6 Cg_exo -52.91 131.0 40.3 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.212 2.608 . . . . 0.0 112.637 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.502 ' H ' ' CD ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -56.56 -33.66 66.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.865 -174.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.43 -26.72 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.722 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.2 m -62.93 -47.47 83.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.637 ' HZ ' ' HA3' ' A' ' 29' ' ' GLY . 80.3 m-85 -70.68 -35.28 72.72 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.547 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.42 83.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.553 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.5 m -75.18 -50.89 14.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -73.77 -43.74 58.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -171.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 40' ' ' PHE . 7.2 mp -91.04 -4.23 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -177.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.5 29.23 68.25 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.792 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.48 157.64 19.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.931 0.396 . . . . 0.0 110.419 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 p -81.04 155.73 26.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.757 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -66.61 -27.07 67.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.797 -174.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.54 -30.3 53.65 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.545 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.87 -42.86 48.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.16 -39.22 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.274 0.559 . . . . 0.0 110.275 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 p -77.86 -19.76 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.411 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.42 -45.95 81.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.074 0.464 . . . . 0.0 110.178 176.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.608 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -62.49 -42.71 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.05 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.721 HG23 HD21 ' A' ' 31' ' ' LEU . 6.8 p -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.795 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -66.68 -45.81 77.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG2' HG21 ' A' ' 23' ' ' THR . 22.8 tpt180 -56.86 -53.07 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.961 -175.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.5 t -78.41 -43.12 26.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 68.0 t-105 -65.02 -41.69 95.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.241 -175.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.24 89.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.66 90.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.715 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.99 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.825 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.91 -39.37 89.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.399 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.91 -22.25 63.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.651 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.637 ' HE2' ' HB3' ' A' ' 12' ' ' GLU . 26.3 mtpp . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.034 0.445 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.9 119.51 39.65 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' B' ' 78' ' ' LEU . 35.9 m -85.15 144.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.245 0.545 . . . . 0.0 110.936 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -135.25 118.71 16.84 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.183 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' B' ' 73' ' ' ARG . . . -139.95 172.93 12.06 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.611 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 70.4 t -77.1 108.25 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.773 HD23 ' HB2' ' B' ' 93' ' ' ALA . 54.6 mt -151.44 88.63 4.3 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.579 -175.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.75 176.63 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.275 1.984 . . . . 0.0 112.548 -177.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.35 45.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.715 -165.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -64.31 -43.58 94.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.038 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.425 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.1 mm100 -71.57 -40.96 69.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.194 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -59.75 -24.09 63.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.518 -175.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -52.76 -50.02 64.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -79.99 -32.57 14.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.009 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 91.4 t -58.71 -45.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.934 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -62.41 -33.95 75.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.246 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -76.54 -29.48 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -78.92 -17.88 54.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.378 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.841 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 36.0 tt0 -55.89 -43.85 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 111.157 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.36 55.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.47 -39.92 77.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.73 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.88 -40.86 92.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.917 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.9 -34.5 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.201 0.524 . . . . 0.0 110.284 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 95' ' ' LYS . 1.3 tmmt? . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.639 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.576 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 10.7 mtt180 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.069 0.461 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 26.2 tp -125.01 153.8 42.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.514 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.03 151.75 20.0 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.01 -0.431 . . . . 0.0 110.153 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 11' ' ' GLN . 45.1 mt-10 -66.83 -21.46 66.03 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -68.32 -46.99 68.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.373 0.606 . . . . 0.0 109.996 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -78.04 -22.87 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.588 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.36 -38.85 91.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.132 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 82.3 mm-40 -66.58 -34.97 79.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.615 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 51.1 mt-10 -69.58 -41.37 75.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.587 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.17 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.515 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 pt -78.05 -44.37 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' B' ' 12' ' ' GLU . 19.4 tm0? 44.2 -83.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.738 1.215 . . . . 0.0 113.231 174.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.21 32.75 1.14 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.4 154.62 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.97 82.51 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.29 141.81 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.049 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.78 156.83 40.94 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.022 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.3 -29.19 67.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.381 -0.409 . . . . 0.0 111.657 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.416 ' O ' HG13 ' B' ' 26' ' ' ILE . 90.4 mt-30 -62.2 -40.0 94.61 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.344 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.499 HG23 ' HA ' ' B' ' 54' ' ' ALA . 26.2 m -64.82 -40.99 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.442 0.639 . . . . 0.0 110.095 175.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.01 -41.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.246 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -63.98 -36.6 84.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' B' ' 51' ' ' VAL . 85.8 mt -69.15 -44.95 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.543 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.66 -28.58 70.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.293 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.724 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 60.0 ttt180 -60.04 -27.3 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.6 ' HA3' ' CZ ' ' B' ' 40' ' ' PHE . . . -99.37 -55.78 1.02 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.197 -1.002 . . . . 0.0 112.391 177.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.551 HG21 ' HB ' ' B' ' 55' ' ' VAL . 33.9 m -65.72 -28.08 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.543 HD12 ' HB1' ' B' ' 27' ' ' ALA . 72.4 mt -101.88 -57.76 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.32 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.724 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 82.8 t -58.54 -42.64 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.188 0.518 . . . . 0.0 111.429 -177.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 23.4 t70 -98.39 -13.92 20.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.112 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.576 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 69.36 31.92 71.66 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 19.1 ttmm -81.94 138.16 46.5 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.061 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 31.8 Cg_exo -59.76 140.73 94.77 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.898 2.399 . . . . 0.0 111.744 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.574 ' HB3' HG11 ' B' ' 51' ' ' VAL . 0.2 OUTLIER -62.76 -22.31 66.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.35 -172.02 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -35.78 66.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.914 -175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -62.33 -52.22 64.52 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.918 0.389 . . . . 0.0 111.399 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' HA3' ' B' ' 29' ' ' GLY . 87.9 m-85 -73.09 -43.14 62.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.741 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -64.48 -56.65 12.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.581 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.7 m -71.36 -34.0 70.07 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.7 t -81.6 -49.92 9.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.63 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.36 -2.31 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 28.79 45.39 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.642 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 82.0 mt -98.71 154.91 17.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.045 0.45 . . . . 0.0 109.788 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -95.07 156.56 16.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -51.01 -48.24 61.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.169 0.293 . . . . 0.0 111.272 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.16 -28.22 73.29 Favored Glycine 0 N--CA 1.452 -0.259 0 O-C-N 123.583 0.552 . . . . 0.0 113.133 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.58 -39.19 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.154 0.502 . . . . 0.0 110.138 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.8 t -72.01 -41.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.04 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.549 ' HA ' HG12 ' B' ' 55' ' ' VAL . 33.8 p -69.27 -28.26 66.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.13 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.32 -42.73 99.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.101 0.476 . . . . 0.0 110.221 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.499 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -67.43 -45.13 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.463 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.551 ' HB ' HG21 ' B' ' 30' ' ' VAL . 7.4 p -64.55 -40.95 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.37 -51.0 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -63.02 -46.85 85.66 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 -44.05 81.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.031 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.499 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 69.3 t-105 -64.77 -40.54 95.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.005 0.431 . . . . 0.0 110.527 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.67 96.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.571 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.21 76.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.22 -55.7 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -71.5 -28.83 64.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 111.248 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 179.228 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -113.37 106.14 14.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 176.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.704 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.3 m -88.67 148.14 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.026 0.441 . . . . 0.0 110.806 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.1 m -111.73 131.31 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.936 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.25 158.7 43.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.877 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.841 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 59.2 t -78.96 113.74 18.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.73 HD23 ' HB2' ' A' ' 93' ' ' ALA . 63.7 mt -151.03 143.91 16.67 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.758 0.661 . . . . 0.0 109.487 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.0 Cg_exo -63.87 147.86 92.02 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.235 2.623 . . . . 0.0 112.624 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.04 69.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.419 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.76 -39.27 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.418 . . . . 0.0 110.181 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.51 -26.87 61.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.47 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.64 63.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.119 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -53.14 -49.06 67.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.41 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.7 mt -76.23 -29.66 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.931 -176.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -36.05 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.447 176.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -66.38 -31.12 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.983 0.421 . . . . 0.0 110.55 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -75.89 -31.69 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.313 0.578 . . . . 0.0 109.858 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.513 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 15.5 m95 -73.39 -18.73 61.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.009 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.611 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 1.1 tm-20 -57.43 -49.3 76.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.342 0.592 . . . . 0.0 109.942 177.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -24.49 44.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.352 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 15.3 t70 -71.36 -39.57 71.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.9 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.773 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.333 -0.149 0 CA-C-O 121.014 0.435 . . . . 0.0 110.604 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.596 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.343 0.592 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 6.6 tp -91.02 174.76 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.809 -168.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -102.29 167.99 9.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 -38.02 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.152 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -59.95 -47.24 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.921 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.52 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 96.4 mt-30 -76.84 -25.31 53.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 0.0 110.701 -178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.64 -42.45 98.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.645 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -62.97 -30.44 71.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.057 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.85 -36.84 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.49 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -74.7 -49.78 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.771 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.6 pt -77.42 -12.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -174.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -47.53 -55.17 9.73 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.6 8.56 68.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.012 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.1 mm? -111.51 133.25 53.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.909 0.385 . . . . 0.0 111.635 -175.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -87.36 84.54 7.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.438 0.637 . . . . 0.0 109.775 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 m -116.9 138.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.008 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.5 145.7 49.68 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.96 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.9 -25.74 44.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.28 0.232 . . . . 0.0 111.212 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' ILE . 33.9 tt0 -59.06 -51.68 69.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -69.39 -31.44 69.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.52 -45.71 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.4 -32.0 70.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 22' ' ' GLN . 74.1 mt -70.03 -50.12 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.276 0.56 . . . . 0.0 109.601 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -63.88 -27.32 69.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.421 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.678 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 71.8 ttt180 -64.01 -28.17 69.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 0.0 110.821 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -105.88 -38.06 2.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.963 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.65 -37.35 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-O 121.172 0.51 . . . . 0.0 111.309 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 10.3 tt -103.45 -33.78 8.95 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.443 -173.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.678 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 88.7 t -89.21 -56.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.605 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.6 t70 -70.98 -35.9 72.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 0.0 109.338 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.596 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 99.63 22.19 12.99 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.676 173.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 58.8 mttp -74.54 139.06 74.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 32.5 Cg_exo -58.5 127.02 23.09 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.19 2.594 . . . . 0.0 112.8 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' H ' ' CD ' ' A' ' 37' ' ' GLN . 25.4 mp0 -50.15 -54.3 21.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.66 -168.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.46 70.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.789 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -66.22 -43.96 85.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 110.268 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.11 -44.39 88.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.865 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.575 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -57.43 -56.03 27.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.5 m -64.43 -28.97 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.662 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.6 m -74.0 -46.78 41.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.79 -7.05 53.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.1 22.9 43.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.115 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.09 156.6 16.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -79.86 155.32 27.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -66.62 -27.45 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.93 -45.13 86.28 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.022 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.06 83.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 41' ' ' ALA . 71.0 t -64.9 -45.06 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.424 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' HG12 ' A' ' 55' ' ' VAL . 62.7 p -69.62 -32.65 71.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.652 0.263 . . . . 0.0 110.678 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -61.15 -45.21 95.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.147 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.703 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.522 HG12 ' HA ' ' A' ' 52' ' ' SER . 14.3 p -69.12 -37.76 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.612 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -65.83 -50.21 65.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 111.054 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 26.7 tpt180 -61.46 -55.25 33.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.233 -175.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' HB ' HD13 ' A' ' 31' ' ' LEU . 97.7 t -62.93 -47.0 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -176.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -61.51 -48.17 82.25 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.866 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.28 72.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.044 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.35 87.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 110.773 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.424 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 60.1 t80 -67.13 -45.25 77.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.721 177.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.3 -39.81 91.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.795 -178.619 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -119.92 129.77 54.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.028 0.442 . . . . 0.0 110.041 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' B' ' 78' ' ' LEU . 15.9 m -88.02 128.27 40.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.167 0.508 . . . . 0.0 110.556 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -120.97 113.89 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.753 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.92 163.64 33.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.462 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.77 109.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.821 HD23 ' HB2' ' B' ' 93' ' ' ALA . 56.2 mt -147.31 126.69 6.47 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 52.3 Cg_exo -55.73 146.38 66.35 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.836 2.358 . . . . 0.0 112.51 -176.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -53.65 -31.06 45.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.267 -174.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -64.95 -29.81 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.755 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -72.58 -27.48 62.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.779 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -61.94 -23.84 66.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.338 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.74 ' HD1' HD13 ' A' ' 85' ' ' ILE . 58.4 t80 -53.02 -39.5 63.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.077 174.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.74 HD13 ' HD1' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -83.76 -35.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.87 -38.51 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.074 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -58.06 -33.65 69.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.298 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.18 -28.15 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.182 0.515 . . . . 0.0 110.266 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -82.52 -22.65 34.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.586 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 33.5 tt0 -61.87 -51.13 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.287 0.565 . . . . 0.0 110.057 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.2 62.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.561 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.74 -44.16 34.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.303 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' B' ' 79' ' ' PRO . . . -68.68 -35.1 76.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.484 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 94' ' ' LYS . 38.2 ttmt -66.5 -32.22 73.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.47 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.964 178.475 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' B' ' 32' ' ' VAL . 5.7 ppt_? . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.33 0.586 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.3 171.83 8.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.855 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -98.79 160.56 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.403 ' HG2' HG11 ' B' ' 32' ' ' VAL . 49.8 mt-10 -64.47 -36.55 84.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.27 . . . . 0.0 111.332 -176.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -61.56 -42.13 98.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 90.9 mt-30 -78.17 -26.71 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.601 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.474 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 23.6 mm-40 -59.97 -36.56 77.39 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.81 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 9' ' ' GLN . 65.9 mm-40 -64.05 -40.56 96.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.952 0.406 . . . . 0.0 111.286 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.532 -175.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.411 HD11 ' NE2' ' B' ' 11' ' ' GLN . 41.7 pt -116.15 -14.66 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 11' ' ' GLN . 44.8 tt0 -41.96 -61.57 1.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.767 0.827 . . . . 0.0 112.91 -170.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.53 35.38 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.637 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 17' ' ' LEU . 3.9 mm? -100.98 146.35 27.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.948 0.404 . . . . 0.0 110.911 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -85.86 83.62 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.673 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -135.26 144.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.481 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.64 141.66 40.8 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.567 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HA ' HD12 ' B' ' 24' ' ' ILE . 12.3 pt20 -54.24 -34.8 61.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.526 0.203 . . . . 0.0 111.277 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.518 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.2 mt-30 -62.39 -47.53 83.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.67 68.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.887 0.375 . . . . 0.0 111.082 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 21' ' ' GLN . 82.7 mt -68.45 -49.56 64.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.2 0.524 . . . . 0.0 109.992 174.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 42.8 mt-10 -64.51 -29.53 70.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.786 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 22' ' ' GLN . 85.0 mt -71.72 -48.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 0.0 109.715 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -61.5 -28.2 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.665 -176.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.698 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 53.9 ttt180 -62.92 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.717 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -102.57 -43.72 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.624 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.591 HG21 HG13 ' B' ' 51' ' ' VAL . 5.9 t -70.82 -40.78 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.248 0.547 . . . . 0.0 111.57 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.2 tt -104.09 -30.81 10.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.678 -172.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 99.1 t -96.12 -43.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.486 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 11.9 t70 -78.97 -28.03 43.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.592 0.711 . . . . 0.0 109.229 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.533 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 96.22 25.46 12.55 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.245 -0.888 . . . . 0.0 112.22 176.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 125.37 60.11 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-O 120.632 0.253 . . . . 0.0 110.926 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.98 144.56 44.95 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.081 2.521 . . . . 0.0 112.125 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -58.09 -35.31 71.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.112 -173.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.06 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.298 . . . . 0.0 111.02 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.0 m -68.27 -52.47 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.91 -38.57 91.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.17 -174.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -58.54 -51.17 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -65.61 -37.51 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.097 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -61.7 -50.11 73.76 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.28 -12.8 25.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.41 9.44 61.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.374 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.91 155.98 28.78 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.0 p -80.81 155.15 26.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -65.08 -31.85 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.982 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.88 -35.86 92.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.55 -38.45 62.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 110.411 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.591 HG13 HG21 ' B' ' 30' ' ' VAL . 83.6 t -68.48 -43.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.417 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.8 p -69.77 -28.25 65.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -62.99 -40.26 97.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.96 74.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.473 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.48 -36.78 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.211 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.48 -50.64 68.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 0.0 111.699 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.466 ' HA ' ' HD2' ' B' ' 57' ' ' ARG . 20.4 tpt180 -70.01 -49.84 47.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.463 -172.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.52 -45.45 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.54 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -59.61 -48.66 80.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.397 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.6 85.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.268 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.74 87.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.336 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.649 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 86.1 t80 -64.15 -40.83 96.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.447 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.38 -38.6 87.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.872 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.066 -179.013 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -117.83 134.13 55.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.657 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.1 m -95.23 147.4 5.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.071 0.462 . . . . 0.0 110.723 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.5 m -140.95 118.04 11.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.335 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.95 165.4 29.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.887 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.648 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.0 t -81.47 107.99 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.536 ' HB2' HG22 ' A' ' 74' ' ' VAL . 5.7 mp -146.58 127.54 7.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 51.0 Cg_exo -54.62 145.08 61.08 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.506 2.138 . . . . 0.0 111.668 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.75 -17.88 26.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.733 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -56.23 -39.07 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.985 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.424 ' O ' HG23 ' B' ' 86' ' ' VAL . 32.8 mm-40 -72.44 -31.17 65.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.649 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.42 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.92 -24.01 66.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . 0.677 ' HD1' HD13 ' B' ' 85' ' ' ILE . 57.6 t80 -53.45 -39.87 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.335 0.588 . . . . 0.0 110.097 174.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.677 HD13 ' HD1' ' B' ' 84' ' ' TYR . 0.3 OUTLIER -84.43 -38.54 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 82' ' ' GLN . 88.5 t -61.42 -41.71 91.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.148 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -63.97 -21.56 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -81.06 -41.69 22.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -72.29 -18.9 61.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.843 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.61 -38.51 90.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.531 . . . . 0.0 110.73 177.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.32 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.403 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.02 -35.69 36.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.504 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.731 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 73.0 mtt180 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 13.7 tp -90.25 130.62 36.35 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 156.43 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.122 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -51.07 -45.2 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.921 0.391 . . . . 0.0 111.208 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -59.62 -47.34 85.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.144 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.87 -38.24 90.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.553 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.77 -44.15 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -44.54 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.519 178.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.99 -43.57 92.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.85 -49.44 74.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.442 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.16 -33.32 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.972 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 42.47 -88.4 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.47 1.106 . . . . 0.0 113.389 170.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.25 32.32 1.04 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -69.63 139.27 53.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 111.39 -176.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 1.5 pm0 -83.72 83.41 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.649 0.738 . . . . 0.0 110.298 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 57' ' ' ARG . 12.7 m -141.66 142.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.941 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 146.65 50.09 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.691 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -54.42 -24.15 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.691 0.396 . . . . 0.0 111.519 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.5 mm-40 -59.68 -50.82 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 176.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -61.69 -37.83 85.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.474 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.09 -39.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.88 -31.51 71.36 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 82.5 mt -64.43 -50.27 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.92 72.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.331 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 31.1 mtp180 -59.27 -38.87 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.04 0.34 51.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.221 -176.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 37' ' ' GLN . 2.1 t -111.52 -52.18 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 55' ' ' VAL . 3.9 pp -104.44 -27.24 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.826 -177.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 87.6 t -78.67 -42.71 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.374 0.607 . . . . 0.0 109.679 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.473 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 25.4 t0 -83.55 -18.12 39.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.881 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.731 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.62 26.81 72.96 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.986 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -96.9 149.6 35.91 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.673 0.273 . . . . 0.0 111.024 -176.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.71 120.8 5.66 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.318 2.679 . . . . 0.0 112.527 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 30' ' ' VAL . 1.7 mp0 -57.46 -35.03 69.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.618 -175.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.334 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -65.42 -40.8 93.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 22.8 t80 -66.66 -40.13 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.426 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.706 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -61.75 -50.0 74.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.647 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -60.69 -33.95 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.904 0.383 . . . . 0.0 111.216 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -73.29 -51.47 17.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.912 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.13 3.04 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 36.78 37.0 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.673 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 61.6 mt -99.37 158.76 15.5 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -100.01 157.01 16.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.64 -52.13 32.88 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.52 -43.34 97.65 Favored Glycine 0 C--O 1.227 -0.313 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.87 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.21 81.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 111.101 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' A' ' 41' ' ' ALA . 95.4 t -68.2 -41.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 110.798 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -66.49 -29.72 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.773 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.53 -41.87 96.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.77 89.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.532 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.8 ' HA ' HD23 ' A' ' 31' ' ' LEU . 9.8 p -68.33 -40.39 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.337 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -66.18 -49.77 66.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 0.0 111.301 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HG2' HG11 ' A' ' 19' ' ' VAL . 6.4 tpt180 -58.18 -49.72 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.656 -174.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HB ' HD21 ' A' ' 31' ' ' LEU . 86.0 t -74.46 -46.58 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.427 -176.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 5' ' ' LEU . 17.4 t-105 -61.44 -41.32 97.02 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.058 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.48 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.239 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.57 -33.2 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 110.775 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.09 -41.88 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.675 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -71.82 -46.87 56.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.48 -7.51 53.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.502 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 177.245 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.6 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 37.4 ptt180 -86.63 110.1 19.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.285 0.564 . . . . 0.0 110.209 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' B' ' 75' ' ' THR . 29.3 m -87.66 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.975 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.3 m -117.37 119.4 34.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 111.205 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.738 ' HA ' ' HG2' ' B' ' 90' ' ' GLU . . . -132.85 149.51 52.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.779 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 90.2 t -77.83 122.0 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.172 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD13 ' HG2' ' A' ' 82' ' ' GLN . 51.5 mt -154.72 137.45 10.17 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 78' ' ' LEU . 50.3 Cg_exo -56.1 152.31 38.22 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.476 2.118 . . . . 0.0 112.182 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.9 -22.73 64.63 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.838 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.71 -41.18 98.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HG2' HD13 ' A' ' 78' ' ' LEU . 7.1 tp60 -72.44 -32.25 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.805 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.41 -24.93 66.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.537 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -52.85 -45.81 67.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -84.5 -29.43 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.571 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG11 ' HB ' ' B' ' 74' ' ' VAL . 92.4 t -62.64 -37.69 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.158 176.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.04 -31.95 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.949 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.75 -43.76 19.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.9 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -60.1 -36.52 77.62 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.42 -44.68 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.0 109.916 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.5 73.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.558 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.47 -35.46 79.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.623 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -64.4 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.363 0.601 . . . . 0.0 110.426 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.1 -27.04 48.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.949 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.391 177.745 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.865 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 94.7 mtt180 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.243 0.545 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.73 137.04 32.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.2 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -75.94 156.79 33.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.91 -30.65 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.075 0.464 . . . . 0.0 110.02 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -65.91 -48.77 70.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.96 -35.58 80.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' B' ' 24' ' ' ILE . 67.1 t80 -62.76 -42.97 99.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.489 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -46.17 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.611 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.46 -42.15 92.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.83 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.771 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.5 pt -83.31 -39.08 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.909 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 33.08 -90.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.775 1.23 . . . . 0.0 113.692 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.89 34.97 2.04 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.13 160.15 20.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.733 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' B' ' 18' ' ' GLU . 1.1 pm0 -81.78 83.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.877 0.846 . . . . 0.0 109.604 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -130.23 132.57 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.66 147.64 43.87 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.879 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.02 -23.88 66.65 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.628 ' HA ' ' HB3' ' B' ' 25' ' ' GLU . 20.0 mt-30 -77.93 -30.41 50.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.917 174.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.645 HG23 ' HA ' ' B' ' 54' ' ' ALA . 21.1 m -62.99 -39.01 93.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 172.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' B' ' 10' ' ' PHE . 75.2 mt -67.86 -45.32 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.349 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.628 ' HB3' ' HA ' ' B' ' 22' ' ' GLN . 3.0 tt0 -55.82 -41.21 73.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.65 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.534 HG21 ' HA ' ' B' ' 51' ' ' VAL . 80.3 mt -72.89 -50.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.675 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.7 71.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.887 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.682 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 16.6 mtp180 -54.14 -29.51 45.51 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 112.032 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -108.04 -35.53 2.53 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.087 -1.054 . . . . 0.0 111.539 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' B' ' 37' ' ' GLN . 4.0 t -70.15 -51.66 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' B' ' 55' ' ' VAL . 3.9 pp -107.53 -23.05 12.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.129 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.682 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.3 t -81.42 -50.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.835 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 28.3 t70 -80.85 -18.41 47.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.449 0.642 . . . . 0.0 109.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.865 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 68.5 41.45 84.64 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.75 -1.114 . . . . 0.0 113.283 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -106.76 152.27 40.78 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.3 124.08 5.98 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.101 2.534 . . . . 0.0 111.924 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.712 ' HG3' HG13 ' B' ' 30' ' ' VAL . 2.0 mp0 -60.07 -31.83 70.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.578 -171.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.556 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -63.3 -42.33 99.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.57 -34.9 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.861 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -56.87 -44.61 82.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.167 173.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.9 m -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.433 ' HB3' HD22 ' B' ' 44' ' ' LEU . 45.1 t -69.33 -56.1 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.177 -173.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.575 ' HB2' ' HG ' ' B' ' 46' ' ' LEU . 2.4 mm? -91.76 5.97 47.77 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.646 -172.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.53 34.83 74.05 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.242 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.861 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 62.5 mt -86.14 155.64 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.26 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -91.25 158.82 16.37 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.61 -43.78 93.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -61.98 -41.61 99.68 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.411 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.95 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.615 0.245 . . . . 0.0 111.111 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.0 t -61.91 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.7 t -67.07 -33.62 75.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 6.5 tp60 -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.341 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.645 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.39 -42.84 92.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.71 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.704 ' HA ' HD23 ' B' ' 31' ' ' LEU . 13.1 p -69.21 -36.29 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.3 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -65.99 -50.91 62.63 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.602 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' B' ' 18' ' ' GLU . 22.3 tpt180 -60.7 -56.97 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.359 -172.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.535 ' HB ' HD21 ' B' ' 31' ' ' LEU . 96.7 t -66.53 -41.08 87.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.6 0.238 . . . . 0.0 111.441 -174.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -65.67 -36.25 83.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.077 0.465 . . . . 0.0 110.282 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.93 77.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.648 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.351 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -61.53 -45.73 92.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.4 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -61.49 -46.19 91.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.285 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.427 -178.494 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 27.4 ptt180 -96.99 114.41 26.02 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.543 0.687 . . . . 0.0 109.187 174.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.545 ' HB ' HG11 ' A' ' 86' ' ' VAL . 31.2 m -86.45 145.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.053 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 73' ' ' ARG . 41.5 m -129.48 132.73 46.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.62 153.94 36.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.017 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.623 ' HB ' ' HB3' ' A' ' 93' ' ' ALA . 46.3 t -79.14 116.04 22.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.886 0.374 . . . . 0.0 110.379 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 77' ' ' VAL . 1.1 mt -151.15 134.28 8.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.75 147.01 90.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.517 2.145 . . . . 0.0 111.287 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . 0.757 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 47.4 mt-10 -62.38 -19.55 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.252 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -67.34 -39.89 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 109.883 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.44 ' HG2' HD22 ' B' ' 78' ' ' LEU . 7.5 tp60 -73.38 -41.74 62.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.426 0.631 . . . . 0.0 109.572 172.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -59.72 -22.72 62.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -51.58 -45.01 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.168 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 mt -83.8 -30.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.39 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.495 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 59.8 t -63.45 -37.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.126 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -60.52 -32.51 71.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.769 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -46.1 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 19.2 m0 -63.88 -28.6 69.95 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.656 178.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.738 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 3.7 tm-20 -55.6 -51.99 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.701 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.89 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 22.0 t70 -64.75 -39.36 93.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.043 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 175.758 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.742 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 5' ' ' LEU . 14.0 mt -135.12 169.06 18.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.545 0.688 . . . . 0.0 112.711 -170.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.62 162.23 13.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.193 171.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -46.7 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.567 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.16 -29.21 66.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.203 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.8 -44.58 85.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.428 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -27.43 61.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.481 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.57 -35.01 70.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.579 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.28 84.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.445 ' HB ' HG21 ' A' ' 19' ' ' VAL . 4.9 pt -81.51 -7.48 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -73.38 118.12 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.47 0.48 67.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.123 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -106.73 155.98 19.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 110.671 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.78 84.48 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.471 0.653 . . . . 0.0 109.496 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.445 HG21 ' HB ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -120.78 128.77 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.916 -178.355 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.79 168.24 41.27 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.409 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.15 -36.78 71.14 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.255 0.622 . . . . 0.0 111.832 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.667 0.27 . . . . 0.0 110.998 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -68.51 -43.07 77.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.287 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mt -70.06 -46.73 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.971 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -66.63 -31.95 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.0 -46.34 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.086 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.27 64.81 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.718 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 8.9 ttm-85 -63.93 -29.36 70.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.125 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.78 -38.91 2.44 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.843 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG11 ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -70.14 -41.29 78.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 122.923 0.489 . . . . 0.0 111.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -94.5 -62.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.403 -178.152 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 21.4 t -54.14 -54.07 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.005 0.522 . . . . 0.0 112.253 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -22.72 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 0.0 110.205 -178.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.742 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 78.75 31.03 45.89 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.159 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -78.61 149.2 74.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.453 0.168 . . . . 0.0 110.861 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.78 136.29 44.96 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.803 2.336 . . . . 0.0 112.545 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -32.07 73.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.238 -176.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.43 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.365 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -36.61 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.603 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -39.96 94.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.26 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.194 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -66.93 -42.61 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.811 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.0 m -70.78 -50.32 37.06 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.55 -9.58 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.53 33.82 24.19 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.49 166.75 10.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.104 0.478 . . . . 0.0 110.376 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.49 155.03 22.36 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -68.42 -37.23 80.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.432 0.158 . . . . 0.0 111.092 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.61 -30.26 74.68 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.539 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.03 69.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.622 0.249 . . . . 0.0 111.013 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.32 -40.77 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 55' ' ' VAL . 17.3 m -70.41 -24.66 62.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.472 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.52 -34.04 71.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.708 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -74.48 -41.33 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.748 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.565 HG23 HD13 ' A' ' 31' ' ' LEU . 7.5 p -67.76 -36.57 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -48.02 75.27 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.355 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -56.3 22.42 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.567 0.542 . . . . 0.0 112.349 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.82 -35.23 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.427 ' HZ3' ' HG ' ' A' ' 5' ' ' LEU . 39.9 t-105 -69.41 -36.24 76.52 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.134 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.09 91.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.59 98.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.91 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -61.44 -51.83 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.221 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.45 -38.26 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.327 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.64 -41.5 83.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.967 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.687 0.28 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.75 112.06 24.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.294 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' B' ' 78' ' ' LEU . 32.6 m -87.73 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.027 0.441 . . . . 0.0 110.589 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.566 HG22 ' HD3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.22 133.32 45.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.728 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -143.73 152.15 40.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.58 111.15 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' HB2' HG22 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -155.36 148.38 18.2 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.636 -176.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.681 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 28.4 Cg_exo -61.79 146.26 96.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.883 2.389 . . . . 0.0 112.944 -178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.76 -25.87 65.83 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.785 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -68.79 -31.87 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.805 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -26.25 61.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.422 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.84 60.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.032 0.533 . . . . 0.0 112.13 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -52.35 -47.06 66.31 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 173.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.991 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.47 -30.52 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' A' ' 87' ' ' ARG . 12.2 mmm-85 -64.18 -29.12 70.25 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 111.09 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -38.54 48.25 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.094 0.473 . . . . 0.0 110.159 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 39.9 m0 -72.19 -24.1 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.029 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.605 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 57.0 tt0 -70.53 -38.57 74.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 175.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.81 76.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.397 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.68 -37.34 82.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.091 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.35 68.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.655 0.264 . . . . 0.0 111.011 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -40.26 94.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 0.0 109.989 173.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.553 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.652 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.38 172.67 10.44 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.368 0.604 . . . . 0.0 112.517 -171.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 p -98.97 155.72 17.28 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.007 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.485 ' HG3' HG11 ' B' ' 32' ' ' VAL . 2.7 mp0 -67.2 -24.21 65.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.845 0.355 . . . . 0.0 110.767 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -50.15 58.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.317 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -77.93 -22.94 48.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.91 0.386 . . . . 0.0 110.587 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.46 -38.04 88.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.467 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -65.4 -45.94 81.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -34.86 78.21 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.662 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.36 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.4 pt -81.81 -11.89 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 107.05 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.213 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.29 0.39 61.41 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.478 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' B' ' 19' ' ' VAL . 0.4 OUTLIER -89.91 146.11 24.64 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.175 0.512 . . . . 0.0 111.176 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.11 83.76 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.344 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' B' ' 17' ' ' LEU . 0.0 OUTLIER -135.39 146.36 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.088 -177.413 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.08 156.46 45.59 Favored Glycine 0 N--CA 1.435 -1.414 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.064 172.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -63.42 -23.51 67.43 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.539 0.335 . . . . 0.0 111.419 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -65.07 -48.28 74.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.994 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -35.72 81.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 57.6 mt -69.35 -41.28 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.14 -32.6 74.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.628 HG21 ' HA ' ' B' ' 51' ' ' VAL . 64.7 mt -71.85 -49.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.275 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.82 65.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.162 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.494 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -65.94 -34.13 77.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.888 176.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -99.36 -28.59 7.52 Favored Glycine 0 C--O 1.223 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -79.08 -42.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -177.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -97.22 -60.93 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.54 -177.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 14.5 t -60.52 -50.65 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 35.8 t0 -74.77 -50.28 17.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.652 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 109.2 49.77 0.75 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.621 175.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 0.5 OUTLIER -103.4 137.6 19.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.586 0.232 . . . . 0.0 110.71 -178.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 36.1 Cg_exo -62.91 149.44 91.48 Favored 'Trans proline' 0 C--O 1.24 0.579 0 C-N-CA 123.105 2.537 . . . . 0.0 112.607 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -62.36 -41.64 98.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.77 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -39.18 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.936 -177.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -35.16 77.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.803 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.95 -50.56 68.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -43.01 73.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.3 m -76.63 -42.6 41.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -12.14 41.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.02 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.148 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.561 HD13 HG12 ' B' ' 26' ' ' ILE . 2.1 mt -112.85 166.02 11.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 155.06 25.21 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -63.73 -40.4 96.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.164 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -31.08 68.33 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.797 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.46 -45.91 67.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.987 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.628 ' HA ' HG21 ' B' ' 26' ' ' ILE . 48.2 t -62.23 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.905 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -71.63 -25.96 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.822 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.55 -37.59 71.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.514 0.197 . . . . 0.0 110.563 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.12 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.14 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.559 ' HB ' HG11 ' B' ' 30' ' ' VAL . 2.2 p -65.61 -45.11 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -43.12 84.14 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -64.21 -50.02 69.67 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.21 -39.55 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -64.5 -40.01 94.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.591 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.46 80.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.969 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.56 -39.32 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.37 -40.51 93.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.69 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.04 -35.18 76.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.033 0.444 . . . . 0.0 110.708 179.119 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.891 0.377 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.566 ' HD3' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -123.16 115.32 21.58 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 78' ' ' LEU . 14.2 m -85.54 131.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.314 0.578 . . . . 0.0 111.247 -176.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . 0.47 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -112.65 126.07 54.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.886 176.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.77 155.26 41.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.617 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.605 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 95.5 t -77.56 120.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.417 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -158.85 147.36 14.04 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 123.803 0.689 . . . . 0.0 109.281 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.89 157.05 45.33 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.629 2.219 . . . . 0.0 113.386 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.74 63.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.948 -175.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.216 0.531 . . . . 0.0 110.447 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.33 61.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.164 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.576 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -63.71 -23.75 67.5 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.15 -50.19 73.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.186 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.662 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.728 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.7 t -65.25 -37.01 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.011 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -68.75 -26.93 65.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.199 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -35.72 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.134 0.492 . . . . 0.0 110.089 175.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -72.82 -18.52 61.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.37 -51.86 66.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.297 0.57 . . . . 0.0 110.891 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.02 44.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.9 -40.26 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.472 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.681 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 N--CA 1.439 -1.001 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 28.7 mt -100.93 160.05 14.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.9 p -103.74 170.55 7.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.145 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.15 -41.07 91.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.086 0.403 . . . . 0.0 110.574 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 p -62.7 -45.08 94.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -78.0 -23.92 48.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.996 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -68.64 -34.27 75.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.065 0.459 . . . . 0.0 110.142 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -62.31 -26.38 68.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.485 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -71.6 -43.53 66.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -66.96 -22.13 65.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.408 -174.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG21 HG23 ' A' ' 24' ' ' ILE . 37.4 pt -109.85 -10.43 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -46.9 -68.83 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.23 31.17 8.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.55 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.93 132.85 52.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.675 0.274 . . . . 0.0 110.875 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -84.35 83.23 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.186 0.517 . . . . 0.0 109.653 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.42 HG23 HD11 ' A' ' 24' ' ' ILE . 3.2 m -127.3 133.58 67.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.417 -177.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.26 151.24 50.27 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.66 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 2.8 pt20 -48.77 -43.99 38.34 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 26' ' ' ILE . 24.2 mm-40 -58.39 -40.72 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.082 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 m -62.09 -41.88 98.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.251 0.548 . . . . 0.0 110.153 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.449 HG23 HG21 ' A' ' 14' ' ' ILE . 72.3 mt -69.82 -51.52 39.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.276 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 47.3 mt-10 -62.52 -26.34 68.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.893 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.533 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 75.0 mt -69.54 -50.67 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-O 121.027 0.442 . . . . 0.0 109.828 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . . . -65.98 -25.39 67.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.941 -174.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 48.9 ttt180 -66.79 -29.82 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.89 10.8 27.41 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.542 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.704 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 2.1 t -112.61 -52.29 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.583 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 55' ' ' VAL . 78.7 mt -82.83 -42.46 17.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.347 0.594 . . . . 0.0 110.855 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 21.2 t -74.45 -25.3 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.243 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.484 ' OD2' ' HG3' ' A' ' 36' ' ' PRO . 37.0 t70 -96.67 -14.82 21.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.73 30.82 2.91 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.926 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 39.0 tttm 65.19 55.02 1.18 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 168.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.704 ' HD2' ' HA ' ' A' ' 30' ' ' VAL . 86.5 Cg_endo -97.74 57.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.089 2.526 . . . . 0.0 111.365 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -55.39 -46.78 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.56 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.97 90.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -64.86 -47.51 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.729 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 26' ' ' ILE . 28.7 t80 -65.57 -41.17 93.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.937 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.551 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -58.61 -55.74 31.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.827 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 m -65.98 -26.24 67.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.99 0.424 . . . . 0.0 111.171 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 t -66.97 -47.62 71.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -92.61 -11.64 33.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.368 . . . . 0.0 111.507 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.19 64.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.789 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 26' ' ' ILE . 95.9 mt -82.39 157.15 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.81 155.98 23.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.119 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.59 -45.56 70.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.86 94.4 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.243 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.13 93.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.138 0.469 . . . . 0.0 110.651 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 41' ' ' ALA . 69.4 t -63.25 -35.18 71.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.489 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.735 ' HA ' HG12 ' A' ' 55' ' ' VAL . 33.2 m -72.79 -30.01 63.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.41 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.74 -45.92 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.06 79.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 52' ' ' SER . 7.5 p -64.42 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.742 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.15 -46.68 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.26 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -61.31 -53.9 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.073 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.74 -43.11 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.197 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -63.58 -43.77 96.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.627 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -62.59 -37.51 86.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.61 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 90.5 t80 -71.47 -49.51 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.47 -32.01 73.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.204 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -78.4 -26.15 46.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 55.7 tttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.196 -174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.801 0.334 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.478 HH11 ' HB ' ' B' ' 77' ' ' VAL . 22.8 mmm180 -92.48 107.32 19.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.65 142.7 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.564 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 m -125.64 120.93 32.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.749 -175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.33 151.57 40.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.751 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 7.3 p -84.3 134.47 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.502 HD12 ' HD2' ' A' ' 79' ' ' PRO . 21.9 tp -173.31 131.83 0.59 Allowed Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HD2' HD12 ' A' ' 78' ' ' LEU . 73.9 Cg_exo -51.36 145.81 26.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.584 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.71 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.924 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -55.77 -42.7 75.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.254 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.9 mp0 -71.75 -28.42 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.198 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.518 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.29 -24.26 64.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -52.55 -47.64 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.972 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 mt -84.42 -30.37 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.267 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -59.79 -38.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.143 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.8 -32.24 70.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.345 . . . . 0.0 110.772 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -77.11 -36.17 55.81 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -70.05 -34.98 73.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.44 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' B' ' 77' ' ' VAL . 13.8 tm-20 -62.68 -36.13 81.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 177.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -39.2 77.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.29 -49.29 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.782 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.788 ' HB3' HG13 ' B' ' 77' ' ' VAL . . . -67.56 -29.14 68.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 0.0 110.628 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.06 -34.81 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.393 -174.739 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' B' ' 4' ' ' ARG . 9.5 ttm180 . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.671 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 30.6 mt -119.92 158.72 26.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.909 0.385 . . . . 0.0 110.632 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.7 p -102.88 170.72 7.81 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.07 -31.56 72.0 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.594 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -62.06 -49.32 76.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.836 0.35 . . . . 0.0 110.752 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.67 -32.67 68.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.24 -47.69 81.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.169 0.509 . . . . 0.0 109.958 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -37.29 76.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.781 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.07 -39.43 86.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.85 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.489 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -75.42 -36.07 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.144 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.7 pt -93.01 -10.25 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -36.18 -57.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 113.625 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.47 37.48 3.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.675 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 13' ' ' ALA . 3.2 mm? -116.51 139.19 50.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 111.605 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -85.09 83.63 7.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.707 HG23 HD11 ' B' ' 24' ' ' ILE . 4.7 m -120.58 140.96 43.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.584 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 159.97 39.5 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 114.252 -1.34 . . . . 0.0 111.842 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.69 -33.26 64.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.213 -0.493 . . . . 0.0 112.186 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.81 -48.12 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -32.88 65.34 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.707 HD11 HG23 ' B' ' 19' ' ' VAL . 74.0 mt -68.54 -51.21 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.463 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.36 -29.79 71.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.982 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.451 ' HA ' ' CE1' ' B' ' 40' ' ' PHE . 83.1 mt -71.52 -48.82 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 109.785 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.12 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.582 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.602 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 57.0 ttt85 -64.03 -41.85 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.471 176.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' B' ' 33' ' ' ASP . . . -98.44 5.53 60.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.702 -178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.713 HG11 ' HB ' ' B' ' 55' ' ' VAL . 1.5 t -113.12 -52.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 120.54 0.209 . . . . 0.0 111.172 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.463 HD21 HG23 ' B' ' 55' ' ' VAL . 72.5 mt -84.64 -50.52 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.118 0.485 . . . . 0.0 110.778 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.2 t -69.37 -26.87 32.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.966 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' HA2' ' B' ' 29' ' ' GLY . 10.2 t70 -89.16 -15.95 32.55 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.34 -172.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.425 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . 111.25 25.78 4.87 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.801 -1.19 . . . . 0.0 113.609 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.574 ' N ' ' HD3' ' B' ' 36' ' ' PRO . 53.7 tttm 67.08 56.19 0.82 Allowed Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 123.783 0.833 . . . . 0.0 112.938 172.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.585 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 61.3 Cg_endo -99.62 53.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.806 . . . . 0.0 111.153 172.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.401 ' NE2' HG11 ' B' ' 55' ' ' VAL . 52.4 mt-30 -55.18 -43.79 74.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.235 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.276 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -69.56 -43.49 72.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.952 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 21.6 t80 -65.77 -41.71 91.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.352 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.417 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -56.34 -55.45 33.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.122 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -68.69 -35.37 77.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.796 0.331 . . . . 0.0 111.287 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -62.03 -47.52 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.939 -175.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.94 -6.69 38.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.74 33.32 34.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.99 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -98.35 153.28 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.847 0.356 . . . . 0.0 110.243 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -73.88 154.43 39.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.454 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.68 -44.74 96.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.11 91.63 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.681 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.91 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.691 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' B' ' 41' ' ' ALA . 82.2 t -60.71 -41.98 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.453 ' HA ' HG12 ' B' ' 55' ' ' VAL . 16.1 m -72.07 -25.18 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.04 -45.95 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.96 94.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.622 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.713 ' HB ' HG11 ' B' ' 30' ' ' VAL . 6.9 p -63.85 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.989 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -65.35 -42.37 92.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -61.87 -54.07 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.02 -40.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -63.6 -43.01 98.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.919 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.56 84.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.892 0.377 . . . . 0.0 110.414 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.91 82.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -71.14 -50.62 31.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.503 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.08 -40.74 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.601 -175.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.107 0.48 . . . . 0.0 110.915 -176.449 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 89.5 mtt-85 -92.69 112.39 24.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 m -85.35 127.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -121.02 119.23 31.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.98 169.31 24.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.926 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.788 HG13 ' HB3' ' A' ' 93' ' ' ALA . 14.5 p -88.78 137.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -165.64 132.81 2.23 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -172.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 93' ' ' ALA . 54.1 Cg_exo -52.96 137.9 61.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.181 2.587 . . . . 0.0 112.794 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.2 OUTLIER -62.42 -29.66 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.307 -169.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -63.66 -49.49 72.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.683 0.277 . . . . 0.0 110.918 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.401 ' O ' HG23 ' B' ' 86' ' ' VAL . 1.2 mp0 -72.05 -29.51 64.23 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -66.1 -24.68 66.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.419 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -53.07 -50.6 64.05 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.396 0.617 . . . . 0.0 109.692 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.433 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.1 mt -70.74 -32.35 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.931 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 82' ' ' GLN . 98.9 t -65.12 -42.3 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.733 176.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -70.21 -23.29 62.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -77.08 -37.94 53.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.58 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 26.3 m0 -68.2 -20.12 64.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.634 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.751 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 8.1 tm-20 -61.86 -43.11 99.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -28.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.409 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 13.5 t70 -67.84 -48.38 66.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.603 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' A' ' 77' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.017 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 1.7 mpp_? . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.0 tp -103.1 147.64 26.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -173.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -94.1 156.01 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 119.613 -0.232 . . . . 0.0 111.055 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -50.93 -45.28 60.48 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.3 t -60.28 -53.51 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.592 0.234 . . . . 0.0 110.851 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -61.34 -39.5 90.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.225 0.536 . . . . 0.0 109.954 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.3 t80 -59.32 -48.26 82.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.046 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -68.87 -41.83 77.83 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.68 -38.56 87.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.141 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.54 74.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 10' ' ' PHE . 31.1 pt -72.34 -29.14 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.857 0.361 . . . . 0.0 111.757 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.58 102.14 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.297 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.48 -20.11 5.56 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.486 -176.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.97 132.48 46.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.62 84.4 5.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 0.0 109.776 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.5 m -120.9 143.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.736 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.93 145.07 47.57 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.122 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 64.0 tt0 -54.27 -39.95 67.35 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.505 0.322 . . . . 0.0 111.187 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.614 ' O ' HG13 ' A' ' 26' ' ' ILE . 69.0 mt-30 -60.37 -42.5 95.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.313 -0.155 . . . . 0.0 110.898 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -59.4 -41.41 89.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.479 0.657 . . . . 0.0 109.929 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.57 -47.71 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.765 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 18.2 mm-40 -60.44 -31.26 70.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.622 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.662 HG21 ' HA ' ' A' ' 51' ' ' VAL . 81.4 mt -67.81 -50.89 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -65.64 -26.79 67.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.84 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 51.6 ttt85 -58.73 -28.6 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.742 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' A' ' 33' ' ' ASP . . . -107.02 -42.73 1.49 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.675 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 23.1 t -69.83 -28.23 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 C-N-CA 123.005 0.522 . . . . 0.0 111.76 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.686 HD21 HG23 ' A' ' 55' ' ' VAL . 37.9 mt -110.72 -33.58 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 12.0 t -97.58 -29.5 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 36.4 t70 -92.95 -8.73 42.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.108 0.48 . . . . 0.0 111.347 -171.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 112.64 17.54 7.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.881 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 48.1 tttm 68.0 70.25 0.44 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 166.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.75 -15.27 13.57 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.137 2.558 . . . . 0.0 112.079 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 60.32 -113.02 0.57 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.07 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -28.46 67.49 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -169.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.22 -34.73 72.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.419 . . . . 0.0 110.719 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 34.3 t80 -68.8 -40.96 79.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.861 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.811 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -60.96 -53.53 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -59.43 -35.26 73.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.218 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -67.92 -52.07 40.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.395 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.81 -9.83 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.73 64.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.837 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.401 HD13 HD11 ' A' ' 26' ' ' ILE . 71.4 mt -78.34 157.65 29.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.6 p -84.7 154.87 22.2 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.689 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.249 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -45.0 94.53 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.781 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.9 81.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.532 0.206 . . . . 0.0 110.81 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.811 HG21 ' HB2' ' A' ' 41' ' ' ALA . 55.8 t -57.51 -44.13 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.627 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 m -71.84 -26.87 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.162 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -71.26 -41.38 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.125 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.86 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.957 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.686 HG23 HD21 ' A' ' 31' ' ' LEU . 5.4 p -61.63 -42.42 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -66.25 -47.62 73.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.616 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -60.41 -56.46 21.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.099 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.62 -43.45 93.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.668 -175.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -63.69 -43.72 95.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.426 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.28 68.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.196 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -63.03 -50.17 71.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -69.76 -40.08 76.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.805 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -59.49 -40.14 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.805 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.33 -35.01 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 45.5 tttp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.145 -173.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.475 ' HG2' HG22 ' B' ' 77' ' ' VAL . 31.7 mtm180 -108.27 105.79 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG11 ' HB1' ' B' ' 83' ' ' ALA . 31.5 m -96.14 126.66 48.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.552 0.691 . . . . 0.0 112.004 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -103.21 114.71 29.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.254 173.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HA ' ' OE2' ' B' ' 90' ' ' GLU . . . -124.5 159.88 29.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.746 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.736 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 45.0 t -78.21 112.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.561 ' HB2' HG22 ' B' ' 74' ' ' VAL . 75.2 mt -155.63 127.6 3.89 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.76 140.62 46.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.818 2.345 . . . . 0.0 112.204 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.69 -29.88 29.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.23 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -59.29 -32.64 70.22 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -72.94 -27.16 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.691 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -58.49 -23.87 59.02 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.384 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.11 -48.27 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.297 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.72 -31.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.616 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 76.3 t -56.8 -47.35 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.151 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 90' ' ' GLU . 29.6 ttp180 -67.19 -21.09 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.202 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.98 -39.09 72.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.172 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 86' ' ' VAL . 10.3 m0 -75.11 -36.06 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.765 175.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.573 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 32.6 tt0 -58.23 -47.53 83.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.115 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.83 71.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.655 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -70.27 -40.69 74.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.27 -36.79 74.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.498 ' HD2' ' O ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -71.89 -30.47 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 34.1 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.857 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.444 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.312 0.577 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.786 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 19.0 tp -125.44 158.64 33.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.432 -172.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.4 p -96.61 157.61 15.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.602 ' HG3' HG11 ' B' ' 32' ' ' VAL . 44.5 mt-10 -67.02 -21.09 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -67.53 -44.97 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.154 0.502 . . . . 0.0 110.057 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.5 ' HB3' ' CE1' ' B' ' 62' ' ' PHE . 17.1 mm-40 -77.76 -31.85 52.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.977 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 51.7 t80 -56.6 -45.65 81.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.268 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.78 -44.29 86.12 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.592 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.68 -41.85 98.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -61.01 -41.69 97.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.476 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 34.5 pt -84.51 -28.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.73 106.92 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.363 0.601 . . . . 0.0 111.0 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.35 -17.06 7.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.58 159.04 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.043 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.0 86.66 2.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.547 HG23 HD11 ' B' ' 24' ' ' ILE . 8.8 m -120.2 131.98 71.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.441 0.639 . . . . 0.0 111.227 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.69 139.95 37.79 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.516 177.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.546 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 63.7 tt0 -62.89 -23.22 67.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 -178.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.86 -50.78 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.387 . . . . 0.0 110.134 175.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.41 69.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.547 HD11 HG23 ' B' ' 19' ' ' VAL . 68.7 mt -61.28 -44.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.431 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.58 -28.14 69.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.708 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.589 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 68.2 mt -68.48 -50.94 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.416 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -67.27 -28.0 67.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.529 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -62.31 -37.48 85.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.41 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -106.84 -0.62 36.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.415 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' B' ' 26' ' ' ILE . 2.3 t -112.31 -52.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.809 -0.23 . . . . 0.0 110.873 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.423 ' CD2' HG23 ' B' ' 55' ' ' VAL . 18.6 mt -78.95 -34.33 44.48 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 122.123 -0.36 . . . . 0.0 111.574 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.602 HG11 ' HG3' ' B' ' 7' ' ' GLU . 21.8 t -95.79 -14.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.913 0.387 . . . . 0.0 112.02 -174.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.0 t70 -108.91 10.47 26.4 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.198 0.523 . . . . 0.0 112.319 -170.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 110.14 -3.97 30.04 Favored Glycine 0 C--N 1.323 -0.159 0 C-N-CA 119.648 -1.263 . . . . 0.0 113.845 173.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' B' ' 30' ' ' VAL . 62.0 tttm 69.73 63.37 0.53 Allowed Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 123.02 0.528 . . . . 0.0 111.95 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 81.2 Cg_endo -83.39 -36.16 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.233 1.955 . . . . 0.0 112.255 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 68.2 -72.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.785 0.834 . . . . 0.0 112.863 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.67 89.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 9.3 p -64.38 -40.77 96.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.316 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 27.5 t80 -67.1 -41.74 85.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -59.0 -45.52 90.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.804 177.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -70.45 -31.65 68.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -67.81 -52.89 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.451 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.25 -1.61 55.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.22 45.15 32.19 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.548 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 87.4 mt -99.48 159.39 15.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.164 0.507 . . . . 0.0 110.718 -176.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 3.2 m -77.58 155.05 31.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.873 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.33 -40.74 87.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.87 78.31 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.288 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.85 91.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 111.238 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' B' ' 41' ' ' ALA . 75.8 t -63.65 -47.03 93.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.642 ' HA ' HG12 ' B' ' 55' ' ' VAL . 59.3 m -66.18 -28.48 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.608 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 35.5 tt0 -65.13 -43.38 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.867 0.365 . . . . 0.0 110.301 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -40.61 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.676 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' B' ' 52' ' ' SER . 7.1 p -66.71 -39.87 84.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -66.15 -44.56 83.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.749 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.1 OUTLIER -64.52 -57.3 9.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.961 -174.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.57 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.404 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.786 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 48.0 t-105 -67.13 -42.97 83.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.547 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.32 75.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.64 81.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.506 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.521 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 70.2 t80 -65.42 -38.92 91.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.979 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.66 -39.64 77.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 110.146 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.395 0.617 . . . . 0.0 110.297 177.598 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 77' ' ' VAL . 77.8 mtm180 -103.91 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.3 m -87.99 143.06 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.138 0.494 . . . . 0.0 111.211 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.0 m -103.96 128.35 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.854 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' OE2' ' A' ' 90' ' ' GLU . . . -136.8 139.92 42.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.573 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.2 t -77.95 121.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.547 HD12 ' HD2' ' B' ' 79' ' ' PRO . 45.6 tp -169.61 126.7 0.79 Allowed Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' B' ' 78' ' ' LEU . 53.1 Cg_exo -56.56 146.54 74.9 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.928 2.419 . . . . 0.0 112.225 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . 0.785 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -60.23 -19.9 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.876 -172.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -56.07 -58.64 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -73.54 -30.79 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.785 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -63.02 -23.51 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.413 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -52.46 -46.9 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.428 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.45 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.9 mt -75.65 -33.15 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 -177.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.5 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 60.6 t -63.28 -32.31 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 87' ' ' ARG . 19.2 ttt180 -62.81 -36.33 82.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.187 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.14 -42.9 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.216 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 22.3 m0 -64.83 -31.49 72.74 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.736 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 34.1 tt0 -61.63 -50.51 72.27 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 110.255 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.12 73.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.97 -44.82 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.065 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 179.419 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.727 ' HE ' ' HA3' ' A' ' 34' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.889 0.376 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 4.2 tp -125.92 150.57 47.86 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.444 -175.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 165.58 14.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.64 -27.54 68.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.794 0.331 . . . . 0.0 111.553 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -51.99 66.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.726 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 12.1 mt-30 -78.19 -22.83 48.03 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 14' ' ' ILE . 6.5 t80 -63.95 -44.13 93.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -67.91 -31.34 71.05 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.04 -37.11 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.19 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.757 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 10' ' ' PHE . 30.3 pt -75.63 -41.36 41.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.912 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 44.46 -106.2 0.1 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.937 0.895 . . . . 0.0 112.711 175.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -126.83 30.64 4.13 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -67.16 152.07 46.41 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.801 0.441 . . . . 0.0 110.726 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 84.39 7.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.856 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.434 HG11 ' HG2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -137.99 141.4 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.56 146.11 43.26 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.779 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.599 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -65.72 -21.02 66.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.81 -44.51 89.66 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.761 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -35.69 77.76 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 177.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 21' ' ' GLN . 67.2 mt -64.87 -39.78 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.979 0.418 . . . . 0.0 110.467 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.21 -26.08 64.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.565 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 23' ' ' THR . 53.0 mt -68.04 -50.32 59.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.7 66.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.595 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.8 ttm180 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.626 175.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.15 -16.2 33.44 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.576 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 1.1 t -96.89 -46.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.763 0.316 . . . . 0.0 110.71 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.582 HD13 HG23 ' A' ' 55' ' ' VAL . 10.2 tp -95.98 -46.46 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.551 -175.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.595 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.1 t -69.32 -45.58 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.67 -33.65 46.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.727 ' HA3' ' HE ' ' A' ' 4' ' ' ARG . . . 87.02 51.13 3.46 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.101 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 14.8 mttp -109.96 148.94 39.29 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.195 . . . . 0.0 110.998 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 27.9 Cg_exo -62.32 140.04 80.58 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 111.905 176.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.63 -32.41 67.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.025 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.45 98.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.601 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.474 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -33.39 75.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.223 -175.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -62.76 -55.7 24.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -71.06 -26.44 63.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -71.94 -36.6 69.96 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -95.4 -7.05 39.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.691 0.281 . . . . 0.0 111.461 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.67 70.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.884 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.5 169.96 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 p -83.5 155.44 23.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.443 ' H ' ' HG2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -65.64 -27.61 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.624 0.249 . . . . 0.0 110.494 176.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 -42.02 72.35 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.861 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.22 74.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.553 ' HA ' HG21 ' A' ' 26' ' ' ILE . 55.7 t -69.72 -42.03 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -72.11 -22.41 61.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -70.38 -34.31 72.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.744 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.47 -44.16 65.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.677 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.582 HG23 HD13 ' A' ' 31' ' ' LEU . 2.9 p -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -49.65 68.19 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.996 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG2' HG11 ' A' ' 19' ' ' VAL . 7.7 tpt85 -64.42 -49.24 72.3 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.56 -44.41 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.251 0.344 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.503 ' CE3' HD11 ' A' ' 31' ' ' LEU . 27.7 t-105 -61.06 -47.3 86.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.441 177.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.47 71.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.27 77.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.511 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -66.45 -40.33 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.608 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.69 -34.34 71.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.57 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.42 -40.56 85.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.992 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.956 0.408 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -127.62 125.24 39.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' B' ' 83' ' ' ALA . 10.3 m -86.15 133.26 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.21 0.529 . . . . 0.0 111.107 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.78 112.9 13.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.317 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.21 159.34 42.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.983 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -82.12 109.04 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' B' ' 93' ' ' ALA . 0.2 OUTLIER -160.34 144.9 10.75 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -177.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.497 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 30.8 Cg_endo -64.01 155.45 64.46 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.431 2.087 . . . . 0.0 112.956 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -19.82 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.652 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.2 86.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.176 0.513 . . . . 0.0 110.227 174.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -26.75 61.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.312 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -59.42 -23.08 62.35 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.829 0.451 . . . . 0.0 112.213 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -52.68 -47.08 67.43 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.478 0.486 . . . . 0.0 110.489 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.91 -27.75 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.072 -178.393 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.02 -36.97 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.692 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -30.59 67.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 110.732 176.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -35.97 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 175.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -75.26 -22.12 58.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.941 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.911 ' HB2' ' HB1' ' B' ' 76' ' ' ALA . 0.4 OUTLIER -65.89 -43.86 87.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.167 0.508 . . . . 0.0 109.821 176.298 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.03 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.828 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.0 -31.52 44.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' B' ' 79' ' ' PRO . . . -70.52 -39.75 73.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 175.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -24.91 64.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.926 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.548 -179.133 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.717 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 9' ' ' GLN . 3.6 tp -121.08 156.96 31.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.59 164.08 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HG3' HG11 ' B' ' 32' ' ' VAL . 4.0 mp0 -66.49 -29.34 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.644 0.259 . . . . 0.0 110.91 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.91 86.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.514 ' HB3' ' HG ' ' B' ' 5' ' ' LEU . 1.5 mp0 -78.31 -25.78 46.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.015 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.413 ' O ' HG12 ' B' ' 14' ' ' ILE . 67.2 t80 -64.55 -47.27 79.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 174.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -26.66 65.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.024 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.56 -38.75 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.677 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.45 -45.94 64.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.492 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.413 HG12 ' O ' ' B' ' 10' ' ' PHE . 10.0 pt -78.14 -37.54 22.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.525 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.5 OUTLIER 39.52 -111.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.275 1.03 . . . . 0.0 112.819 178.254 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -119.67 35.94 3.66 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 17' ' ' LEU . 2.5 mm? -80.87 166.82 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -93.78 84.73 4.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.15 0.5 . . . . 0.0 110.21 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.27 132.39 71.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.016 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.85 136.37 41.09 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.113 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.4 tt0 -67.62 -18.11 64.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.32 -46.79 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.669 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.13 -32.89 74.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.921 176.352 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' B' ' 21' ' ' GLN . 90.2 mt -64.67 -37.03 79.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.434 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.73 -30.04 63.84 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.636 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' B' ' 23' ' ' THR . 18.9 mt -71.43 -49.85 44.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.27 -19.52 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.595 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.2 ttm-85 -62.04 -29.7 70.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.107 176.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.67 -38.17 1.94 Allowed Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.018 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' B' ' 55' ' ' VAL . 2.4 t -73.68 -41.27 55.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.825 0.45 . . . . 0.0 111.358 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.536 HD11 ' HE3' ' B' ' 59' ' ' TRP . 1.3 tt -94.24 -45.96 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.461 -176.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 88.4 t -71.32 -54.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.391 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.45 -20.41 36.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.116 0.484 . . . . 0.0 110.391 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.717 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 78.23 48.02 7.84 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.667 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.07 138.98 27.23 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.703 -0.249 . . . . 0.0 110.849 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.24 134.31 58.29 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.248 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -71.74 -27.59 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.79 -172.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.398 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -41.89 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.41 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -33.52 75.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.547 -177.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.522 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.9 -50.47 68.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.255 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -31.53 68.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.8 m -71.76 -39.83 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.419 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.69 -22.02 28.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.85 24.17 42.88 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.93 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.87 170.73 7.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.1 155.51 34.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 110.603 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.16 -35.9 78.71 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.365 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.5 75.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.573 ' HA ' HG21 ' B' ' 26' ' ' ILE . 76.4 t -68.8 -40.66 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 52.0 m -73.85 -21.51 60.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.29 72.09 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.86 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.685 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.457 ' HB ' ' CG1' ' B' ' 30' ' ' VAL . 9.9 p -66.99 -36.63 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -39.54 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.887 178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.06 10.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.404 ' HB ' HD13 ' B' ' 31' ' ' LEU . 79.3 t -66.85 -37.67 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.687 0.28 . . . . 0.0 110.803 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.536 ' HE3' HD11 ' B' ' 31' ' ' LEU . 23.6 t-105 -63.03 -41.07 99.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 175.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.64 70.85 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.371 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 -38.07 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.43 -38.33 77.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.823 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.13 -37.96 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.126 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.816 177.387 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.323 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 118.96 28.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.981 0.419 . . . . 0.0 110.385 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 83' ' ' ALA . 16.5 m -86.38 135.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.695 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -132.5 124.58 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.911 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -152.31 168.1 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.085 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.743 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 12.4 t -86.55 109.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.477 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -157.01 142.26 12.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.419 -179.126 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 93' ' ' ALA . 23.5 Cg_exo -65.39 155.96 65.9 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.666 2.244 . . . . 0.0 112.802 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -18.75 63.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.225 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -62.68 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.218 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.416 ' O ' HG23 ' B' ' 86' ' ' VAL . 5.1 mp0 -72.67 -27.96 62.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.86 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.525 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -63.76 -22.07 66.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.138 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.45 -44.77 65.72 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.199 173.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.416 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.89 -31.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.211 -178.028 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 82' ' ' GLN . 13.6 t -68.47 -34.52 66.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.912 0.387 . . . . 0.0 110.983 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtm105 -70.01 -27.46 64.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -35.31 65.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 174.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -72.79 -18.04 61.52 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.417 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.44 -46.33 80.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.372 0.606 . . . . 0.0 111.291 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.59 -29.44 65.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.147 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.68 -26.19 57.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.497 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.511 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.624 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 66.7 mtt180 . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 121.087 0.47 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 5' ' ' LEU . 2.8 tp -117.72 148.93 41.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.58 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.93 162.78 18.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -61.71 -32.23 72.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.213 0.321 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -36.75 73.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -78.01 -36.42 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.672 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE1' HG11 ' A' ' 58' ' ' VAL . 76.2 t80 -66.34 -45.63 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.83 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -67.64 -26.27 66.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.4 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -32.77 68.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.75 -47.36 26.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.446 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.88 -8.77 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 1.7 tm0? -68.55 -34.15 75.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.83 7.98 76.66 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.85 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -120.2 158.2 27.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.353 -176.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.85 85.28 2.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.225 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.51 169.57 11.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.517 177.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.68 141.94 48.13 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.617 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -25.73 66.66 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -176.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -66.4 -42.85 87.21 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.756 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -68.44 -37.05 79.88 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.52 -41.85 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.906 0.384 . . . . 0.0 110.414 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -66.82 -25.62 66.53 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 23' ' ' THR . 48.5 mt -66.48 -50.77 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -70.38 -20.06 62.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.363 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 5.6 ttp180 -64.72 -29.82 70.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.101 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . -108.13 -22.79 7.01 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.184 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.811 HG11 HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.57 -42.65 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.842 0.353 . . . . 0.0 111.009 -176.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 64.8 mt -95.24 -47.47 6.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.518 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 44.2 t -64.5 -43.35 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 120.77 0.319 . . . . 0.0 111.589 -177.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.15 -18.09 29.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.018 0.437 . . . . 0.0 110.496 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.624 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 74.81 46.17 18.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.93 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -99.91 149.93 36.4 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.483 -0.358 . . . . 0.0 110.72 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 24.6 Cg_exo -64.29 144.13 85.29 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.711 2.274 . . . . 0.0 112.206 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.857 ' HG2' HG21 ' A' ' 55' ' ' VAL . 2.1 mp0 -72.99 -29.59 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.475 -175.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.34 84.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.416 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.87 -46.37 89.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -33.77 72.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.791 -173.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.775 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -67.08 -52.69 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.553 -176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -26.11 59.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.148 -176.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.0 m -73.72 -41.27 62.79 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -84.34 -18.55 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.94 0.4 . . . . 0.0 111.18 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.99 19.22 56.44 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.403 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.66 176.23 6.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.0 154.95 24.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.25 81.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.618 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -68.65 -26.41 74.47 Favored Glycine 0 N--CA 1.45 -0.408 0 O-C-N 123.885 0.741 . . . . 0.0 113.396 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.79 59.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.878 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' A' ' 41' ' ' ALA . 44.0 t -71.79 -41.44 70.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.662 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 p -69.32 -28.54 66.34 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.749 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 2.1 tm0? -65.73 -38.71 89.9 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.851 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.756 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -64.83 -35.32 80.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.857 HG21 ' HG2' ' A' ' 37' ' ' GLN . 10.7 t -59.92 -52.32 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -35.09 79.5 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.198 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -57.77 -52.57 64.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.879 0.472 . . . . 0.0 111.668 -177.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.4 t -78.21 -35.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.779 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -65.48 -41.13 93.64 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.77 75.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.62 0.248 . . . . 0.0 111.073 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.605 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.42 -41.4 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.348 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.48 -31.26 71.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.685 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -33.46 65.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.19 0.519 . . . . 0.0 110.303 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mttt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.688 177.284 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.204 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' B' ' 77' ' ' VAL . 17.1 mtm180 -82.82 105.95 14.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' B' ' 83' ' ' ALA . 33.2 m -92.39 140.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.243 0.544 . . . . 0.0 111.161 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.91 126.45 47.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.94 44.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.034 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -79.05 110.14 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.649 ' HG ' ' HB2' ' B' ' 93' ' ' ALA . 0.2 OUTLIER -150.32 142.59 15.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.828 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 15.1 Cg_exo -67.96 160.86 46.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.471 2.114 . . . . 0.0 112.625 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.73 -20.25 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -44.0 91.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.042 0.449 . . . . 0.0 109.936 172.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -26.6 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.996 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.11 -23.14 65.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.125 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -54.62 -46.89 73.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.257 0.551 . . . . 0.0 110.249 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -30.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.802 -178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -66.01 -33.86 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -63.23 -38.08 89.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.74 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.19 -32.99 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.708 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -69.36 -26.86 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.147 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.57 -43.91 95.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.01 72.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.007 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.22 -38.41 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.801 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.708 ' HB1' ' HD3' ' B' ' 79' ' ' PRO . . . -64.99 -38.13 89.96 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.585 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -71.3 -36.33 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.261 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.608 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.641 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tp -137.69 164.83 27.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.56 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.7 p -95.4 165.38 12.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -32.18 73.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 111.093 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.68 80.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -75.16 -31.46 61.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -62.62 -47.68 82.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -68.98 -26.61 65.12 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.762 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -33.01 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.87 -39.48 61.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.83 8.26 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -58.88 2.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.138 0.975 . . . . 0.0 113.351 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.84 20.15 29.57 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -95.19 92.11 6.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.256 0.551 . . . . 0.0 110.602 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.75 84.45 5.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.95 0.881 . . . . 0.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.03 -163.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.005 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 130.49 23.9 Favored Glycine 0 C--N 1.316 -0.54 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.603 ' HA ' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -73.07 -20.35 60.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.172 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -36.02 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.496 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.825 HG22 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -68.63 -35.69 77.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 174.114 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 21' ' ' GLN . 58.2 mt -67.68 -35.33 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.996 0.427 . . . . 0.0 109.939 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.21 -27.19 67.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.213 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 23' ' ' THR . 51.8 mt -65.76 -49.97 73.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.62 -23.3 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.717 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.593 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 8.8 ttt180 -66.37 -30.01 70.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.214 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.34 -38.99 2.91 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.017 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.851 HG11 HG22 ' B' ' 55' ' ' VAL . 1.3 t -70.0 -43.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 122.948 0.499 . . . . 0.0 111.551 -175.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.495 ' HG ' HG12 ' B' ' 30' ' ' VAL . 83.8 mt -98.0 -47.26 5.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.637 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 57.8 t -67.12 -48.92 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.432 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.46 -27.23 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 110.283 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.641 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 84.22 43.87 6.87 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.714 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.514 ' HE3' ' HD2' ' B' ' 36' ' ' PRO . 15.5 mmmt -93.43 145.27 29.68 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.287 . . . . 0.0 111.67 -175.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' HE3' ' B' ' 35' ' ' LYS . 10.6 Cg_endo -55.83 137.04 77.42 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.515 2.81 . . . . 0.0 112.734 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.624 ' HG2' HG21 ' B' ' 55' ' ' VAL . 2.7 mp0 -76.82 -26.94 54.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.993 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.23 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.564 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -37.0 82.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.482 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -66.35 -34.06 77.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.147 -177.593 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.669 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.63 -44.7 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.18 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -34.47 75.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.718 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.0 m -70.33 -44.64 67.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.83 -17.21 38.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 111.644 -175.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.73 14.3 73.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.616 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.69 161.91 14.7 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.68 156.34 36.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -58.44 -38.43 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.279 0.362 . . . . 0.0 111.175 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.03 94.21 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.788 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.48 71.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.212 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' B' ' 41' ' ' ALA . 40.7 t -69.11 -46.01 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.341 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -70.21 -18.61 63.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.546 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -36.74 77.48 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.357 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.825 ' HB2' HG22 ' B' ' 23' ' ' THR . . . -68.87 -40.6 79.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.851 HG22 HG11 ' B' ' 30' ' ' VAL . 12.8 t -57.28 -51.6 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.247 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -65.73 -43.23 89.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.165 -177.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' B' ' 57' ' ' ARG . 0.5 OUTLIER -68.1 -45.63 73.19 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.45 -40.31 79.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 110.468 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -65.86 -36.92 84.8 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.923 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.67 81.92 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.262 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.71 77.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.034 0.445 . . . . 0.0 110.675 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.07 -44.24 69.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 178.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.96 -32.0 68.74 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.448 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 110.421 175.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.45 111.92 17.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.164 0.507 . . . . 0.0 109.892 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 78' ' ' LEU . 34.2 m -86.22 131.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.345 0.593 . . . . 0.0 110.265 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.42 115.13 21.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.278 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.04 150.37 44.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.654 HG22 ' HG2' ' A' ' 73' ' ' ARG . 15.7 t -78.78 110.4 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.567 ' HA ' ' HB1' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -138.08 149.65 64.52 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.926 -176.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.708 ' HD3' ' HB1' ' A' ' 93' ' ' ALA . 21.6 Cg_exo -67.38 154.44 73.89 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.184 1.923 . . . . 0.0 111.419 172.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -67.49 -22.2 65.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.81 -175.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -63.13 -49.06 75.89 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.313 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -72.48 -28.72 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.08 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.516 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -64.99 -23.51 67.24 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.098 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -55.81 -48.34 75.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.161 0.505 . . . . 0.0 110.108 173.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.422 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.2 OUTLIER -77.11 -26.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.823 -178.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 53.4 t -68.06 -35.81 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -36.71 83.9 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.814 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.56 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.525 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -73.34 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.381 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -43.62 98.43 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.275 0.559 . . . . 0.0 109.923 172.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.98 61.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.453 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.52 -40.36 92.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.862 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.828 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . . . . . . 0 C--O 1.234 0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.467 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 121.222 0.534 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.8 tp -92.82 155.85 17.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.413 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 p -91.53 153.21 19.93 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.15 -27.08 68.48 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.487 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -65.74 -45.54 82.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.81 0.338 . . . . 0.0 110.556 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -78.32 -23.37 47.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.48 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CE2' HG23 ' A' ' 24' ' ' ILE . 64.0 t80 -58.32 -46.7 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.306 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -46.45 64.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.791 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.77 -46.47 89.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.058 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -59.51 -48.9 79.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.036 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.9 pt -82.48 -14.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.973 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -52.4 -48.54 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.053 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.46 6.22 82.35 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.311 -174.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 13' ' ' ALA . 3.8 mm? -115.1 147.33 40.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 111.581 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.85 84.65 6.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.67 HG23 HD11 ' A' ' 24' ' ' ILE . 4.0 m -115.7 134.12 59.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.073 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.46 35.11 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.467 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 36.7 mt-30 -61.28 -25.97 67.46 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' ILE . 34.7 tt0 -59.43 -51.37 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 174.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -63.67 -37.83 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.114 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.67 HD11 HG23 ' A' ' 19' ' ' VAL . 70.6 mt -60.69 -48.03 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.318 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.36 -26.76 68.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.527 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 87.1 mt -69.67 -50.99 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.44 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.798 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.755 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 37.6 ttt180 -63.29 -27.97 69.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.965 0.412 . . . . 0.0 110.926 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -109.22 -40.45 1.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.766 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 t -71.89 -40.94 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 C-N-CA 122.779 0.432 . . . . 0.0 111.406 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.722 HD13 HG23 ' A' ' 55' ' ' VAL . 54.9 tp -100.88 -32.77 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.838 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.755 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 78.4 t -82.69 -46.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 111.328 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.1 t70 -84.91 -22.18 29.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.43 0.633 . . . . 0.0 109.574 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 83.38 28.7 35.44 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.006 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 66.4 mttm -76.2 137.78 68.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.903 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -57.05 135.82 73.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.67 2.246 . . . . 0.0 111.135 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -57.46 -31.93 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.642 -169.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.57 87.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.406 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -49.19 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.784 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 1.9 t80 -72.74 -34.01 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.037 -176.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.72 86.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.083 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 -27.4 65.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.165 0.507 . . . . 0.0 111.086 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -78.39 -55.96 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' A' ' 46' ' ' LEU . 11.1 mp -79.68 -27.44 40.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.37 -0.38 59.93 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.213 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 44' ' ' LEU . 8.6 mp -77.97 149.48 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 p -71.31 159.69 34.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.725 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -54.84 -39.27 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.542 0.21 . . . . 0.0 110.705 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.86 -40.79 97.25 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.58 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.37 80.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.169 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.94 -36.83 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.638 ' HA ' HG12 ' A' ' 55' ' ' VAL . 39.1 m -72.14 -23.45 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.019 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.76 -38.86 92.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 0.0 109.856 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.8 -48.81 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.421 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.722 HG23 HD13 ' A' ' 31' ' ' LEU . 7.1 p -65.79 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.693 -177.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -66.3 -49.67 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -63.56 -51.9 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.414 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.06 -45.59 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 110.84 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CE3' HD11 ' A' ' 31' ' ' LEU . 72.3 t-105 -61.79 -49.57 75.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.24 84.79 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 56.5 t80 -76.99 -41.17 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 110.187 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.72 -37.91 83.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -28.38 68.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.478 . . . . 0.0 110.638 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.163 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -128.77 131.26 47.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.59 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.821 HG12 ' HB2' ' B' ' 83' ' ' ALA . 31.9 m -88.56 141.46 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.258 0.552 . . . . 0.0 111.042 -177.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -136.89 130.83 32.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.74 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -156.54 150.65 25.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.523 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 2.7 m -78.68 127.28 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 174.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' HD2' ' A' ' 79' ' ' PRO . 1.7 tt -168.1 129.97 1.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.692 ' HD2' HD23 ' A' ' 78' ' ' LEU . 73.1 Cg_exo -37.93 133.32 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.972 3.114 . . . . 0.0 114.585 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.46 -27.88 66.49 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.039 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.18 -37.94 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -72.45 -25.81 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.329 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -53.75 -23.44 11.86 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 52.6 t80 -52.08 -49.13 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.242 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.408 ' H ' HG13 ' A' ' 85' ' ' ILE . 2.6 mt -75.29 -26.73 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.013 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.569 HG11 ' HB ' ' B' ' 74' ' ' VAL . 64.8 t -66.65 -39.96 85.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -68.04 -23.44 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.175 0.512 . . . . 0.0 110.492 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 84' ' ' TYR . 74.6 mmtt -80.79 -44.69 18.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.202 177.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -62.16 -38.08 87.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.855 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.3 tt0 -59.08 -46.65 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.312 0.577 . . . . 0.0 110.354 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.11 66.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.562 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -74.57 -40.56 61.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.661 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.18 77.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 110.665 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 109.959 177.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 27.0 ttpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.416 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.474 ' HB3' ' CA ' ' B' ' 34' ' ' GLY . 3.6 ppt_? . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 121.43 0.633 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.709 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 14.6 tp -105.68 160.83 14.9 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.804 -170.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -83.89 153.52 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 35.3 tt0 -66.93 -23.7 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.654 -174.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.5 m -64.0 -49.44 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.434 ' NE2' HD11 ' B' ' 5' ' ' LEU . 21.0 mt-30 -75.44 -28.95 59.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.035 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.524 ' O ' HG12 ' B' ' 14' ' ' ILE . 86.9 t80 -59.26 -46.29 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.58 173.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -45.13 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.455 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.26 -42.91 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.671 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.37 55.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.563 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.524 HG12 ' O ' ' B' ' 10' ' ' PHE . 32.0 pt -69.96 -18.58 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -56.82 -30.35 63.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.153 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.01 35.43 4.94 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' B' ' 61' ' ' ALA . 2.5 mm? -129.54 143.92 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 110.765 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -114.97 83.92 1.99 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.21 146.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.45 -172.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.03 142.8 43.9 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.52 175.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.94 -29.56 4.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.16 -40.73 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.361 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.56 HG23 ' HA ' ' B' ' 54' ' ' ALA . 6.8 m -64.48 -44.46 90.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.554 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.39 -41.92 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.04 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.29 -40.66 91.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.607 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' B' ' 51' ' ' VAL . 74.4 mt -71.56 -48.15 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.52 . . . . 0.0 110.132 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -62.7 -27.77 69.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.671 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.716 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 67.2 ttt180 -61.76 -27.52 68.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.958 0.409 . . . . 0.0 111.025 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.05 -40.69 1.51 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.842 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.97 -38.32 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 120.984 0.421 . . . . 0.0 111.208 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.6 tt -98.02 -40.61 8.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 84.5 t -79.19 -51.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 32.0 t70 -81.94 -24.16 35.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.57 0.7 . . . . 0.0 110.189 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' B' ' 4' ' ' ARG . . . 78.31 41.33 17.31 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.982 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -78.58 148.17 72.82 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.609 0.242 . . . . 0.0 110.538 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.51 118.1 4.92 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.387 2.058 . . . . 0.0 110.573 172.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -53.46 -40.74 65.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.672 -170.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 111.151 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.9 m -66.96 -44.37 80.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . 0.41 ' HE2' HG12 ' B' ' 26' ' ' ILE . 29.0 t80 -65.47 -40.59 93.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.415 0.626 . . . . 0.0 109.431 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.56 89.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.097 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.3 m -70.38 -32.37 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.919 0.39 . . . . 0.0 111.233 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -66.39 -52.27 48.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' B' ' 46' ' ' LEU . 9.2 mp -83.82 -33.58 24.88 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.49 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.05 -3.68 33.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.221 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' B' ' 44' ' ' LEU . 8.0 mp -71.82 147.23 47.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 156.32 39.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -53.17 -43.56 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.575 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -54.31 -38.59 62.41 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.707 -0.678 . . . . 0.0 113.181 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.09 -40.47 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.926 0.363 . . . . 0.0 111.062 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' B' ' 26' ' ' ILE . 70.9 t -68.35 -50.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m -68.93 -21.99 64.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 49.4 tt0 -66.54 -39.12 88.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.56 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.81 -44.64 85.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.577 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.05 -38.68 82.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.21 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -66.29 -47.34 73.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.263 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 57' ' ' ARG . 9.7 tpt180 -57.23 -50.52 72.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.345 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.0 -46.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.423 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.709 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 65.2 t-105 -62.26 -49.39 75.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.218 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.34 74.71 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' B' ' 17' ' ' LEU . . . -60.68 -46.29 90.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.937 0.398 . . . . 0.0 111.013 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.09 -46.14 88.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.857 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.07 -38.78 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.276 -177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 120.645 0.26 . . . . 0.0 111.475 -176.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 35.8 ptt180 -107.02 130.71 54.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.3 0.572 . . . . 0.0 110.231 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.569 ' HB ' HG11 ' A' ' 86' ' ' VAL . 17.0 m -85.39 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.474 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.7 m -125.49 130.6 52.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.154 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.63 152.39 36.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.855 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.5 t -78.74 109.95 13.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.538 ' HB2' HG22 ' A' ' 74' ' ' VAL . 41.7 mt -153.25 139.87 12.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.392 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.8 Cg_exo -63.35 155.37 62.47 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.425 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -53.73 -30.0 42.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.817 -173.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . 0.449 ' O ' ' HB3' ' B' ' 84' ' ' TYR . 21.9 m-70 -58.35 -33.1 69.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.522 ' O ' HG23 ' B' ' 86' ' ' VAL . 28.4 mm-40 -72.83 -46.72 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.6 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -60.63 -27.05 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' B' ' 81' ' ' HIS . 54.9 t80 -51.39 -43.35 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.436 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.1 mt -85.07 -37.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.587 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.565 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 83.4 t -58.54 -36.52 59.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.567 -175.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' B' ' 83' ' ' ALA . 50.6 mtt180 -60.57 -31.29 70.42 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -78.03 -26.04 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.564 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -77.41 -38.44 49.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 109.692 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.665 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 39.5 tt0 -60.28 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.952 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.82 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.79 -36.98 56.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.404 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 178.495 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.793 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.018 0.437 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.542 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 7.4 tp -134.53 166.76 22.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.827 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 163.58 12.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 172.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.75 -23.18 67.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.648 0.261 . . . . 0.0 111.466 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -45.58 82.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.083 0.468 . . . . 0.0 110.956 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.542 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 11.1 mp0 -78.47 -24.5 45.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.435 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.64 ' HE1' HG23 ' A' ' 24' ' ' ILE . 16.2 t80 -62.66 -53.7 50.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.68 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -64.95 -27.18 68.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.133 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.01 -32.31 65.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.976 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.11 -43.31 53.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.776 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -79.44 2.96 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.91 -52.75 64.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.98 0.512 . . . . 0.0 112.284 -176.547 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.15 42.41 1.95 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.054 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.12 144.91 50.92 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.855 0.359 . . . . 0.0 110.765 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.22 83.53 4.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 173.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.37 126.51 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.907 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.11 169.95 55.04 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.744 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.092 0.557 . . . . 0.0 112.472 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.12 -47.12 75.17 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.296 -0.161 . . . . 0.0 110.576 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -61.13 -37.83 84.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.531 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.64 HG23 ' HE1' ' A' ' 10' ' ' PHE . 73.7 mt -70.31 -47.51 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.34 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.89 -31.77 61.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.19 -45.15 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.03 65.78 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.653 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.79 -29.79 69.07 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.184 -0.323 . . . . 0.0 111.062 176.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 33' ' ' ASP . . . -111.67 -0.51 27.54 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.671 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 2.0 t -112.84 -46.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.769 HD23 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -90.29 -49.06 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -178.229 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG21 ' HD2' ' A' ' 28' ' ' ARG . 93.0 t -71.48 -33.44 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.064 0.459 . . . . 0.0 110.773 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 1.1 t0 -90.62 -19.1 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.793 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.71 46.05 78.89 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.047 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 mttt -118.15 148.8 44.41 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.373 0.13 . . . . 0.0 110.959 -176.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 29.2 Cg_exo -61.84 139.08 78.02 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.188 2.592 . . . . 0.0 113.383 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.689 ' HB3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -72.53 -23.24 60.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.927 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.13 97.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.441 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.46 71.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.153 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.417 ' HB3' HG11 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -66.77 -39.46 87.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.182 -175.65 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -65.88 -50.27 65.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.552 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -22.77 61.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 m -76.57 -41.62 45.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.067 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -22.6 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.742 -176.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.7 20.33 34.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.541 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.61 171.53 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.237 -0.481 . . . . 0.0 109.816 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.54 156.29 20.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.096 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -43.99 97.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 110.825 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.22 -27.8 73.23 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 113.017 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.35 46.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 37' ' ' GLN . 90.7 t -71.62 -39.69 70.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.861 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -74.04 -16.76 61.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.66 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -69.73 -33.41 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 176.356 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.598 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.9 -47.3 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.042 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.769 HG23 HD23 ' A' ' 31' ' ' LEU . 7.7 p -65.95 -36.73 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.156 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -65.34 -50.11 66.83 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.605 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -69.37 -48.86 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.157 -173.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 ' CE2' ' A' ' 10' ' ' PHE . 71.2 t -70.47 -41.66 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.583 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' HE3' HD11 ' A' ' 31' ' ' LEU . 71.2 t-105 -64.84 -43.64 92.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.307 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.25 72.35 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.111 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.1 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.105 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -73.29 -37.17 66.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.849 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.83 -35.63 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.97 -30.35 50.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptp . . . . . 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.203 -179.844 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 5.9 ptp85 -123.9 124.3 42.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.6 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -92.01 115.55 31.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.741 0.781 . . . . 0.0 111.171 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.48 HG23 HG23 ' B' ' 75' ' ' THR . 0.2 OUTLIER -83.12 116.37 22.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.074 177.33 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB1' ' HG3' ' B' ' 90' ' ' GLU . . . -122.42 155.92 35.09 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.754 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.427 HG13 ' HB3' ' B' ' 73' ' ' ARG . 1.4 t -108.87 108.75 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -164.08 130.0 2.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.926 -170.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.883 ' HA ' ' HB3' ' B' ' 72' ' ' ALA . 37.1 Cg_exo -63.17 157.49 49.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.113 2.542 . . . . 0.0 113.043 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -68.9 -19.55 64.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.185 -174.249 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.88 40.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.822 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -73.42 -27.56 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.825 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -62.91 -20.83 65.56 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.596 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -52.27 -44.58 65.02 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.374 0.421 . . . . 0.0 111.073 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -83.73 -34.01 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 -37.35 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.88 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.03 -32.97 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.641 0.377 . . . . 0.0 111.384 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -73.74 -45.42 52.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.558 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -65.45 -41.81 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' B' ' 76' ' ' ALA . 22.9 mm-40 -77.49 -22.91 50.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.146 -176.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.29 76.86 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.362 0.601 . . . . 0.0 109.417 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.25 -29.72 60.28 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.321 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.62 -35.92 73.21 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -38.54 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.176 174.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.103 178.105 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.621 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.9 mtt-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.444 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 11.1 tp -117.19 161.77 18.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.29 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -93.76 163.56 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.872 0.368 . . . . 0.0 110.62 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -45.66 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -73.66 -31.28 63.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.129 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -65.3 -46.98 78.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.07 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -32.5 72.78 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.93 -42.52 97.34 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.27 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.921 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 pt -76.3 -22.3 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -173.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.31 -6.43 59.24 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.816 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.07 6.04 58.06 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 171.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -124.2 163.26 21.95 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.775 0.43 . . . . 0.0 111.028 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.98 84.62 2.28 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.23 161.9 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.892 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.45 146.76 43.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.28 -1.327 . . . . 0.0 113.524 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.496 HE21 HD12 ' B' ' 24' ' ' ILE . 1.3 mp0 -72.88 -19.22 61.33 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.88 -46.49 68.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -37.5 80.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.3 177.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.496 HD12 HE21 ' B' ' 21' ' ' GLN . 81.5 mt -69.4 -41.18 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.684 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.13 -33.1 75.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.491 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 39.2 mt -69.7 -50.93 45.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.32 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.677 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -30.05 71.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.582 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.63 -36.02 2.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.631 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.613 HG11 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -66.04 -41.12 89.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.965 0.506 . . . . 0.0 111.454 -176.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.549 HD21 HG23 ' B' ' 55' ' ' VAL . 28.9 mt -97.6 -52.0 3.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.473 -177.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.85 -39.34 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -93.46 -14.38 26.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.753 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 73.99 48.38 16.15 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.0 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 138.04 21.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.698 -0.251 . . . . 0.0 110.931 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.6 139.88 91.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.962 2.441 . . . . 0.0 112.266 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.544 HE21 HG13 ' B' ' 30' ' ' VAL . 15.9 mp0 -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.483 -174.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.75 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.657 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.8 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.407 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -37.94 81.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.599 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.56 -47.0 83.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.284 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -65.45 -41.65 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.738 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -74.48 -29.71 61.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -83.42 -27.51 29.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 26.7 32.77 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.407 HD23 HD11 ' B' ' 26' ' ' ILE . 1.8 mp -103.86 170.63 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.34 154.49 30.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 48' ' ' ARG . 4.2 ttp180 -64.41 -42.76 95.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.114 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.22 -26.97 73.39 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.76 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.07 -39.83 65.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 110.708 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' B' ' 41' ' ' ALA . 44.8 t -71.28 -39.72 73.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.47 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 m -73.41 -20.64 60.68 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.446 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.7 73.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.447 173.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.15 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.972 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.613 ' HB ' HG11 ' B' ' 30' ' ' VAL . 3.3 p -66.37 -39.05 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.123 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -69.04 -48.38 63.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.22 -38.57 77.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.434 0.159 . . . . 0.0 111.315 -175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TRP . . . . . 0.444 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 53.1 t-105 -67.22 -42.15 84.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.784 0.326 . . . . 0.0 110.949 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.81 82.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.3 -39.69 81.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.75 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.16 -49.53 75.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.53 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.87 -43.29 93.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.773 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.696 0.284 . . . . 0.0 111.591 -178.406 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.883 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.427 ' HB3' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -139.79 115.36 10.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.207 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -96.95 138.6 21.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.729 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . 0.48 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -98.59 113.83 26.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.138 177.212 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.43 ' HB1' ' HG3' ' A' ' 90' ' ' GLU . . . -112.0 173.22 6.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -124.38 109.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.366 -179.038 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' B' ' 82' ' ' GLN . 2.3 tp -163.1 140.88 6.15 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.13 -171.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.81 158.38 38.16 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.17 2.58 . . . . 0.0 113.241 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -18.72 64.17 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.201 -176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -60.46 -55.27 35.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.48 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.592 ' HB3' HD21 ' B' ' 78' ' ' LEU . 6.2 tt0 -72.11 -26.46 62.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.51 62.42 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -52.44 -46.86 66.59 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.483 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.66 -32.62 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.698 -178.442 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.82 -42.0 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.944 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -40.36 61.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.107 0.563 . . . . 0.0 111.841 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.39 -33.15 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -79.82 -32.96 40.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.702 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.644 ' HG3' ' HB1' ' A' ' 76' ' ' ALA . 18.7 mm-40 -77.34 -24.02 50.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.144 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.78 -22.54 37.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.16 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.461 ' HB1' HD12 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.707 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ttt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.868 0.366 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 28.5 mmtt -107.17 -151.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.804 176.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -133.14 163.84 28.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.461 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.652 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 3.8 mtp-105 -94.25 170.68 9.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.056 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 5.9 tp -136.49 123.76 21.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.585 -177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 160.68 32.42 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 174.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -26.32 68.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -46.72 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.882 176.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -73.66 -27.66 61.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.586 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CE2' ' HD2' ' A' ' 28' ' ' ARG . 24.1 t80 -65.63 -46.35 79.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.416 176.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -34.7 73.89 Favored 'General case' 0 N--CA 1.457 -0.123 0 O-C-N 123.508 0.505 . . . . 0.0 111.547 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -39.83 94.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.803 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -49.74 16.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.16 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 14.7 pt -74.1 -10.55 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.05 -27.24 63.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.664 176.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.89 20.8 42.41 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.825 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -108.6 119.64 40.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.42 82.8 3.72 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.89 155.45 10.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.212 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.95 156.05 50.02 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.624 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 24' ' ' ILE . 2.9 mt-30 -64.29 -18.09 64.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.425 -0.387 . . . . 0.0 112.038 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -62.73 -47.52 83.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.287 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -69.91 -33.68 72.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.282 178.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 21' ' ' GLN . 76.0 mt -69.19 -39.4 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.2 -25.68 65.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.667 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 31.5 mm -62.5 -50.71 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -71.48 -19.84 62.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.686 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.593 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -66.63 -28.94 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.407 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.36 -25.9 5.62 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.102 -1.047 . . . . 0.0 112.127 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.83 HG11 HG22 ' A' ' 55' ' ' VAL . 1.3 t -80.58 -45.62 21.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.936 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.441 HD12 ' HB1' ' A' ' 27' ' ' ALA . 30.9 mt -94.11 -45.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.42 -176.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 84.2 t -64.74 -41.5 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 111.302 -178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.45 -14.3 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.1 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.76 48.77 59.57 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.763 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -108.09 153.21 41.91 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.589 -0.305 . . . . 0.0 111.423 -172.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.74 131.91 46.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.421 2.747 . . . . 0.0 112.864 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HG2' HG21 ' A' ' 55' ' ' VAL . 7.4 mp0 -80.94 -27.35 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.421 -173.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.36 85.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.558 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -39.28 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.146 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -33.89 75.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.37 88.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.189 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -71.35 -27.12 63.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.803 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 m -77.26 -32.82 55.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.669 0.271 . . . . 0.0 111.578 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -99.55 -11.93 20.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -176.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 16.25 68.57 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.972 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -88.69 160.22 17.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 120.959 0.409 . . . . 0.0 110.722 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.38 157.27 34.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.318 171.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -63.06 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -26.14 72.73 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.982 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.27 -40.66 51.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.995 0.397 . . . . 0.0 110.842 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' VAL . 54.2 t -65.48 -49.61 77.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.485 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -64.42 -24.73 67.73 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.699 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.5 ' HB3' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -68.04 -38.43 82.51 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 175.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.639 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -72.37 -35.77 68.56 Favored 'General case' 0 CA--C 1.519 -0.215 0 O-C-N 123.159 0.287 . . . . 0.0 110.766 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.83 HG22 HG11 ' A' ' 30' ' ' VAL . 35.8 t -59.83 -53.88 42.32 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.644 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -67.17 -33.48 75.5 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.501 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -57.26 -51.03 71.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.136 0.425 . . . . 0.0 111.359 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 17' ' ' LEU . 94.2 t -73.76 -39.38 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.511 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -66.47 -33.0 74.72 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.809 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 63' ' ' GLU . . . -69.14 -30.94 69.3 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.452 0.301 . . . . 0.0 111.785 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.67 82.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 109.873 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -71.87 -37.13 70.23 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.717 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 60.3 mt-10 -61.22 -46.79 88.98 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.636 0.774 . . . . 0.0 111.207 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.99 -33.51 73.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.414 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -83.21 -36.01 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.856 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -111.55 -73.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 0.0 111.904 -169.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -153.02 108.61 2.66 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.286 -174.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.717 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 6.3 Cg_exo -79.3 -169.71 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.523 2.815 . . . . 0.0 113.791 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -77.31 170.75 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.653 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.52 -15.99 47.99 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.043 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' HD1' HE21 ' A' ' 97' ' ' GLN . 9.9 m-30 -98.78 122.34 41.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.04 142.61 35.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.8 119.62 34.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.011 0.434 . . . . 0.0 110.432 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' B' ' 78' ' ' LEU . 28.9 m -93.07 143.72 10.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.68 120.5 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.164 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.777 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -133.71 149.01 51.5 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.154 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.618 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 61.2 t -78.8 115.69 21.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.474 ' HB2' HG22 ' B' ' 74' ' ' VAL . 14.2 mt -157.84 142.72 12.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.43 166.35 23.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.525 2.15 . . . . 0.0 112.847 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -23.69 64.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.301 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.09 -38.79 92.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -72.88 -31.28 64.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.764 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -62.54 -23.06 66.77 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.134 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.55 -45.7 66.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.222 0.534 . . . . 0.0 110.507 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -84.46 -32.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.102 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 73.9 t -62.96 -31.62 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -39.76 89.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.13 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -76.02 -29.42 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -72.21 -33.8 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.4 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.877 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 19.1 tt0 -64.86 -43.48 92.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.392 176.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.44 67.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.959 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -42.07 63.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.26 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.65 74.78 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.515 174.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.551 ' HG3' ' HD2' ' A' ' 100' ' ' LYS . 6.1 ttpt -83.5 -11.23 57.7 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.851 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -35.32 30.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 109.941 176.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.514 HE21 ' HD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -94.0 -13.85 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.374 -178.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -117.06 118.41 32.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.83 89.49 6.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.507 0.67 . . . . 0.0 111.094 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.551 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -126.54 149.84 49.16 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.707 177.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.699 -177.209 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.708 ' HG3' HE22 ' B' ' 37' ' ' GLN . 4.5 ttm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.401 ' HD3' ' CD1' ' B' ' 59' ' ' TRP . 16.0 mttt -96.58 -170.4 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -73.28 168.23 19.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 111.321 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.467 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 0.0 OUTLIER -120.91 164.3 16.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.594 HD22 ' HZ3' ' B' ' 59' ' ' TRP . 0.6 OUTLIER -151.86 176.1 11.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.102 -175.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.224 -173.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.622 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.3 tt0 -64.85 -24.36 67.52 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.209 0.318 . . . . 0.0 111.614 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -46.54 89.8 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -78.87 -25.88 43.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.727 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.622 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 69.1 t80 -65.16 -38.56 90.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.339 175.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -36.3 83.48 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.847 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.56 -34.49 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -75.18 -49.16 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.907 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.488 HG21 HG23 ' B' ' 24' ' ' ILE . 7.0 pt -74.78 -9.83 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -175.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.67 -6.84 57.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.455 0.645 . . . . 0.0 111.168 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.3 39.34 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.76 174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -130.53 126.28 36.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 111.35 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -100.99 83.89 2.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.576 HG22 ' HB3' ' B' ' 17' ' ' LEU . 2.8 m -129.37 166.14 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.76 -175.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 154.59 50.55 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.133 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -60.11 -26.75 66.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.581 . . . . 0.0 111.962 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.32 -48.22 82.69 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.071 0.232 . . . . 0.0 110.908 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.508 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -61.23 -41.01 96.12 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.643 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.488 HG23 HG21 ' B' ' 14' ' ' ILE . 31.8 mt -69.83 -43.61 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.43 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.04 -29.27 66.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.416 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 27.8 mm -65.55 -49.08 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.54 70.8 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.809 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.656 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 4.3 ttt180 -61.15 -28.76 69.35 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.089 0.556 . . . . 0.0 112.134 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.83 -29.33 4.69 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.994 -1.098 . . . . 0.0 112.015 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.797 HG11 HG22 ' B' ' 55' ' ' VAL . 0.9 OUTLIER -74.92 -49.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 122.424 0.289 . . . . 0.0 111.638 -173.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.54 1.94 13.71 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.7 t -97.46 -52.26 9.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 O-C-N 121.829 -0.544 . . . . 0.0 109.843 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -83.61 -37.3 23.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.925 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 94.16 49.68 2.39 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.29 -177.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 31.0 mmtm -99.54 144.8 28.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.702 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 34.3 Cg_exo -57.3 135.49 70.52 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.103 2.535 . . . . 0.0 112.742 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.708 HE22 ' HG3' ' B' ' 1' ' ' MET . 1.7 mp0 -76.64 -30.39 56.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.256 -174.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.75 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.411 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -27.1 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.341 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -35.7 80.01 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.84 82.33 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.975 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -35.33 63.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.743 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -68.27 -50.91 50.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.886 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -22.1 43.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.034 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.9 23.96 50.76 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.679 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -87.64 164.15 16.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.87 156.23 32.31 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -39.98 91.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.45 -28.92 72.96 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.94 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.16 57.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.861 0.33 . . . . 0.0 110.857 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.437 ' O ' HG23 ' B' ' 55' ' ' VAL . 70.6 t -64.98 -43.64 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 m -65.8 -29.8 70.34 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.581 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -69.46 -33.99 73.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.058 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -68.02 -39.96 83.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.03 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.797 HG22 HG11 ' B' ' 30' ' ' VAL . 2.7 t -62.84 -49.35 83.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.923 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.86 -44.04 91.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.295 -175.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -66.87 -48.89 67.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -174.612 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.54 -43.59 62.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.296 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.594 ' HZ3' HD22 ' B' ' 5' ' ' LEU . 58.4 t-105 -65.21 -42.67 93.27 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.124 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 63' ' ' GLU . . . -63.74 -28.91 70.2 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.79 90.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.061 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 53.6 t80 -68.84 -35.35 76.85 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.159 0.504 . . . . 0.0 110.183 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.913 ' HB3' ' HA ' ' B' ' 68' ' ' PRO . 36.8 mt-10 -67.82 -28.54 67.66 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.601 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' B' ' 68' ' ' PRO . 0.6 OUTLIER -65.07 -22.62 66.99 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -179.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -97.99 2.84 49.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.482 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -132.73 -79.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.309 0.575 . . . . 0.0 110.25 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' B' ' 68' ' ' PRO . 2.9 tp -161.44 109.66 1.22 Allowed Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.724 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . 0.913 ' HA ' ' HB3' ' B' ' 63' ' ' GLU . 3.9 Cg_exo -80.64 173.15 12.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.123 2.549 . . . . 0.0 113.535 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.97 125.76 24.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.534 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.25 53.97 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.686 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.36 126.76 52.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.79 125.45 53.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.314 0.578 . . . . 0.0 111.308 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -122.51 108.71 13.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.474 HG22 ' HB2' ' A' ' 78' ' ' LEU . 35.7 m -84.96 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.75 0.786 . . . . 0.0 111.153 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.22 115.5 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.898 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.6 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -139.59 166.0 25.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.64 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.877 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 46.8 t -78.23 112.35 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' B' ' 79' ' ' PRO . 0.1 OUTLIER -149.37 145.27 18.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.616 ' HD2' HD12 ' B' ' 78' ' ' LEU . 45.9 Cg_endo -69.72 170.91 15.43 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.209 1.94 . . . . 0.0 112.804 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -20.08 64.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.54 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.116 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.125 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.621 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -65.2 -23.91 67.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.079 -177.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -55.09 -46.47 75.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.263 0.554 . . . . 0.0 110.415 174.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.81 -26.37 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.697 -177.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.777 HG13 ' HB2' ' A' ' 76' ' ' ALA . 3.5 t -62.94 -36.62 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -42.16 76.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -38.9 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.879 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.53 -27.34 66.02 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.221 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.618 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -56.63 -50.57 71.63 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 176.505 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.46 -22.62 43.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.733 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -36.89 59.2 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.2 65.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.22 89.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.023 173.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -68.07 -23.64 64.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.511 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -29.06 64.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.611 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -94.54 -20.15 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.669 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.553 ' HB3' ' HG2' ' B' ' 100' ' ' LYS . 27.9 mt-10 -85.9 147.66 26.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.796 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.47 34.36 4.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.572 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' B' ' 98' ' ' GLU . 3.5 pttt -79.29 108.2 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 101' ' ' ARG . 17.2 mtm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.598 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -88.8 85.23 6.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -87.93 155.45 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.273 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.654 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 91.9 mtt180 -95.51 156.52 16.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 -174.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 21.5 tp -119.22 155.75 31.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.782 -175.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.0 p -99.06 162.52 13.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.228 -0.295 . . . . 0.0 111.493 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -51.32 -47.81 62.56 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.245 0.545 . . . . 0.0 110.55 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -56.5 -54.52 44.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.733 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.87 -23.43 61.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.334 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.23 -45.62 87.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.111 0.481 . . . . 0.0 110.07 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.69 -38.79 92.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.219 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.55 -27.78 63.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.693 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.5 21.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.487 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' GLN . 28.9 pt -70.39 -45.8 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.416 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 14' ' ' ILE . 23.8 tt0 45.56 -90.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.991 0.916 . . . . 0.0 113.021 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.36 22.88 3.5 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.281 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -71.09 138.4 49.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.326 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.09 83.54 7.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.534 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.91 142.66 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.134 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.69 143.62 38.82 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.324 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -56.34 -23.38 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 26' ' ' ILE . 2.9 tp-100 -59.3 -51.22 70.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.879 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -28.72 63.37 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.135 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 21' ' ' GLN . 78.7 mt -64.0 -46.76 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.351 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.96 -25.76 65.6 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.858 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 22' ' ' GLN . 86.4 mt -66.36 -51.11 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.33 68.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.887 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.681 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 6.9 tmm_? -62.22 -29.28 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.003 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -107.19 -36.67 2.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.798 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 37' ' ' GLN . 3.0 t -68.01 -44.45 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 122.935 0.494 . . . . 0.0 111.569 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.762 HD21 HG23 ' A' ' 55' ' ' VAL . 64.5 mt -97.35 -53.55 3.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.68 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.681 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.5 t -62.73 -48.17 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.705 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.599 ' OD1' ' HG3' ' A' ' 35' ' ' LYS . 15.4 t70 -82.95 -36.42 25.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.506 0.669 . . . . 0.0 109.831 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 88.21 35.35 8.9 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.582 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.599 ' HG3' ' OD1' ' A' ' 33' ' ' ASP . 52.5 mttp -92.16 148.99 37.84 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.835 0.35 . . . . 0.0 111.391 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.47 123.42 11.27 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 112.091 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.535 ' HB3' ' CG1' ' A' ' 51' ' ' VAL . 1.5 mp0 -61.05 -35.58 77.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.78 -172.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.83 68.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.646 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -68.85 -41.54 78.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.088 0.471 . . . . 0.0 110.269 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.444 ' HA ' HD13 ' A' ' 44' ' ' LEU . 92.3 m-85 -66.6 -37.24 84.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.954 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -60.17 -51.52 69.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.975 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -71.58 -46.08 60.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.817 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -73.69 -50.99 18.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 40' ' ' PHE . 8.2 mp -82.16 -15.29 53.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 111.089 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 42.44 6.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.075 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 51.7 mt -108.18 158.77 17.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -90.93 156.19 18.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.394 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 48' ' ' ARG . 2.7 ptm180 -61.3 -34.61 75.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.585 0.231 . . . . 0.0 110.945 -177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.68 -41.46 89.29 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.831 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.76 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 37' ' ' GLN . 84.5 t -60.64 -45.85 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.813 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.407 ' HA ' HG12 ' A' ' 55' ' ' VAL . 23.6 m -70.59 -28.09 64.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.627 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.12 -40.65 78.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.53 80.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.762 HG23 HD21 ' A' ' 31' ' ' LEU . 5.9 p -65.1 -38.54 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 110.503 -178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -66.94 -50.45 62.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -64.27 -50.73 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.3 -41.89 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.994 -176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.485 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 28.8 t-105 -67.85 -30.65 70.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.93 -35.77 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.61 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.209 0.528 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -65.69 -35.01 79.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.048 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.11 -47.24 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.69 -35.49 80.73 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.89 -24.75 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 89.4 m-20 -89.85 -2.56 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.1 tp -114.48 91.35 24.22 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.795 0.331 . . . . 0.0 110.434 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 66' ' ' ASN . 1.2 Cg_endo -84.96 -32.6 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.101 2.534 . . . . 0.0 113.054 -178.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -85.58 84.47 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.353 0.597 . . . . 0.0 110.464 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.05 -13.39 79.36 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.166 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -101.89 123.64 46.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.082 0.467 . . . . 0.0 110.376 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.53 138.34 9.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 34.9 ptt180 -86.05 110.94 19.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.628 0.728 . . . . 0.0 109.569 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.433 HG21 ' HB2' ' B' ' 78' ' ' LEU . 15.4 m -93.78 114.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.296 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.9 p -96.82 130.33 44.1 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.734 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.14 144.73 31.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.662 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.746 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 11.6 p -82.7 132.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' B' ' 93' ' ' ALA . 68.7 mt -156.68 136.98 8.86 Favored Pre-proline 0 C--N 1.316 -0.87 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.14 139.18 80.34 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.274 1.983 . . . . 0.0 111.6 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -44.64 -44.56 9.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.9 0.75 . . . . 0.0 112.284 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.91 -27.63 63.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 111.819 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.58 HE22 HD12 ' A' ' 85' ' ' ILE . 25.0 tp60 -73.12 -27.67 61.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 111.186 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -61.75 -23.98 66.52 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.067 -174.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -52.01 -47.6 64.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.419 0.628 . . . . 0.0 110.115 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.58 HD12 HE22 ' A' ' 82' ' ' GLN . 3.4 mt -84.49 -24.78 7.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.605 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.25 -38.66 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.636 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -63.12 -24.13 67.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.189 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -69.77 -48.37 59.55 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -63.36 -37.42 87.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -57.72 -46.15 84.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.872 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.67 -23.18 49.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.221 0.534 . . . . 0.0 111.068 -176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -73.88 -33.1 63.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.022 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.577 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -66.95 -38.94 87.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -76.78 -21.16 55.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.252 0.549 . . . . 0.0 110.091 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.861 ' HG3' ' HE2' ' A' ' 100' ' ' LYS . 24.4 ttpt -68.23 -36.05 78.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.795 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -72.31 -10.83 60.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.29 0.566 . . . . 0.0 110.357 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -85.85 -20.5 29.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.303 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.2 -176.22 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.611 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -86.59 36.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.187 0.994 . . . . 0.0 109.603 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.861 ' HE2' ' HG3' ' A' ' 95' ' ' LYS . 41.9 mtpt -115.99 105.23 12.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.413 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.428 -175.549 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.48 148.62 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.62 163.15 26.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.796 0.331 . . . . 0.0 110.559 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.523 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 60.8 mtt180 -98.45 143.49 28.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 19.6 tp -111.79 119.3 38.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -176.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.2 p -74.06 157.43 36.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.07 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -50.2 -42.2 50.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.759 0.314 . . . . 0.0 111.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -58.15 -55.07 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.123 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.84 -27.56 65.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.743 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CE2' HG23 ' B' ' 24' ' ' ILE . 64.6 t80 -65.5 -50.08 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.329 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.88 -35.28 80.13 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.659 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -64.22 -37.89 89.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.975 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.29 -49.36 56.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 31.2 pt -74.84 -38.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.741 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 39.9 -92.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.213 1.005 . . . . 0.0 113.189 176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.93 28.61 2.93 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.27 159.42 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.81 0.338 . . . . 0.0 110.569 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.6 84.84 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.55 128.24 60.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.378 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.02 158.22 46.01 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.8 -19.2 65.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 26' ' ' ILE . 6.4 tp-100 -65.5 -50.52 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.829 HG23 ' HA ' ' B' ' 54' ' ' ALA . 14.1 m -57.8 -40.86 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.115 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.463 ' HB ' ' HA ' ' B' ' 21' ' ' GLN . 75.3 mt -66.62 -50.72 63.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.509 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.69 -33.66 74.33 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.643 HG21 ' HA ' ' B' ' 51' ' ' VAL . 85.0 mt -65.13 -48.18 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.24 -26.79 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.992 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.653 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 45.7 ttm-85 -73.03 -39.43 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.786 0.326 . . . . 0.0 110.922 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.76 -13.26 56.99 Favored Glycine 0 CA--C 1.51 -0.23 0 C-N-CA 120.256 -0.973 . . . . 0.0 111.838 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.564 HG13 ' HG3' ' B' ' 37' ' ' GLN . 2.1 t -99.78 -48.97 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.268 -0.466 . . . . 0.0 110.736 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.628 HD21 HG23 ' B' ' 55' ' ' VAL . 95.3 mt -94.82 -52.84 4.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.57 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 48.1 t -62.9 -39.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.257 0.551 . . . . 0.0 111.347 -177.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -80.35 -21.24 42.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.659 0.742 . . . . 0.0 109.945 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.523 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 67.89 47.46 60.33 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.629 -177.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -119.06 138.77 26.54 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.343 -0.428 . . . . 0.0 111.007 -173.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.7 123.74 6.19 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.503 2.802 . . . . 0.0 112.003 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.564 ' HG3' HG13 ' B' ' 30' ' ' VAL . 1.8 mp0 -57.5 -38.52 74.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.88 -1.054 . . . . 0.0 112.373 -169.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.2 69.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.431 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.7 m -65.22 -41.14 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 19.4 t80 -70.46 -39.25 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 109.604 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -61.37 -47.62 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.802 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -65.86 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.501 ' HB3' HD12 ' B' ' 44' ' ' LEU . 7.8 t -71.04 -54.77 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.294 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 43' ' ' SER . 6.9 mp -89.59 -1.34 57.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.85 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.35 38.32 39.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.32 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 80.1 mt -95.19 158.39 15.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.203 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.2 p -86.61 155.18 20.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 48' ' ' ARG . 1.5 ptm180 -63.22 -31.78 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.681 0.277 . . . . 0.0 110.569 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.71 -36.48 82.76 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.069 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.51 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.269 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' B' ' 41' ' ' ALA . 78.3 t -62.79 -41.25 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.273 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.475 ' HA ' HG12 ' B' ' 55' ' ' VAL . 42.7 m -68.82 -33.11 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.21 -44.98 96.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.071 0.462 . . . . 0.0 110.24 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.829 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -61.91 -49.21 77.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.504 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.628 HG23 HD21 ' B' ' 31' ' ' LEU . 7.1 p -68.93 -38.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.313 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -66.12 -51.49 57.42 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' B' ' 57' ' ' ARG . 9.1 mmt180 -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.12 -45.9 95.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.88 0.372 . . . . 0.0 110.519 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -66.03 -36.76 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.676 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.54 83.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.129 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.46 97.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.075 0.464 . . . . 0.0 109.892 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.09 -42.97 99.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.197 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.91 -49.96 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -37.77 82.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -64.13 -29.55 70.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.434 . . . . 0.0 110.415 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.443 ' O ' ' HD3' ' B' ' 68' ' ' PRO . 18.5 m-80 -87.86 21.94 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.227 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 41.4 tp -109.04 90.58 8.04 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' B' ' 66' ' ' ASN . 22.5 Cg_exo -64.98 -63.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.119 2.546 . . . . 0.0 112.562 -175.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -91.64 95.07 9.71 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.56 -10.38 70.9 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.609 -173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -116.4 141.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.086 0.443 . . . . 0.0 110.461 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.91 126.99 4.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.473 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.542 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 34.5 ptt180 -79.37 104.66 10.14 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.79 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 83' ' ' ALA . 21.8 m -91.08 124.44 43.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.6 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.3 p -87.91 122.72 31.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.138 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -129.26 173.59 10.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.502 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.485 HG13 ' HB3' ' A' ' 93' ' ' ALA . 12.2 p -124.55 135.39 64.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 93' ' ' ALA . 44.0 mt -163.59 160.58 17.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.52 138.05 79.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.112 1.875 . . . . 0.0 111.817 175.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -56.38 -32.71 65.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.191 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -73.59 -21.44 60.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.009 0.433 . . . . 0.0 110.826 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.669 HE22 HD12 ' B' ' 85' ' ' ILE . 26.7 tp60 -72.2 -26.65 62.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.36 59.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.122 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . 0.481 ' HD2' HG12 ' B' ' 85' ' ' ILE . 36.9 t80 -53.83 -46.65 71.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.319 0.581 . . . . 0.0 110.446 176.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.669 HD12 HE22 ' B' ' 82' ' ' GLN . 3.7 mt -84.07 -27.86 7.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.942 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 86.2 t -62.75 -34.69 67.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.874 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -58.25 -34.7 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.488 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.02 -47.22 53.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.206 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.413 ' HD1' ' O ' ' B' ' 85' ' ' ILE . 36.7 m95 -62.12 -41.22 98.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.628 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.746 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 37.7 tt0 -59.42 -43.01 93.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.488 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.94 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.114 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -37.85 77.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.423 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.503 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -71.68 -36.62 70.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.231 0.538 . . . . 0.0 110.483 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -68.32 -35.01 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.775 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' B' ' 95' ' ' LYS . 34.4 ttpt -71.1 -17.46 62.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.411 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -69.13 -13.5 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.302 0.572 . . . . 0.0 110.343 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.09 -13.14 42.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.239 176.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.98 157.75 19.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.137 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 3.7 p -84.04 62.88 7.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -136.37 146.1 46.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.767 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.119 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 121.027 0.442 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 127.67 53.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.11 145.7 25.8 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 169.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 163.2 12.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.789 0.328 . . . . 0.0 110.182 -176.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 5' ' ' LEU . 7.7 tp -115.18 154.58 28.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 154.65 35.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.455 173.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.55 -25.81 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.372 . . . . 0.0 110.705 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -50.89 60.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.107 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -75.14 -25.3 58.28 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.03 -47.1 78.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -69.94 -30.22 67.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -42.35 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.956 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.75 83.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.702 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -84.76 -8.02 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -33.13 71.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.194 0.521 . . . . 0.0 110.826 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.63 23.49 34.78 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.112 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -130.96 120.25 23.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.041 0.448 . . . . 0.0 110.923 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.09 84.22 6.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.472 0.653 . . . . 0.0 109.765 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.34 163.66 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.785 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.86 136.34 46.4 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 114.948 -1.023 . . . . 0.0 112.991 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -66.91 -20.98 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.36 0.264 . . . . 0.0 111.277 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.29 -46.04 88.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.45 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.745 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -71.4 -30.35 66.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 21' ' ' GLN . 88.5 mt -66.15 -40.35 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.291 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.01 -27.11 66.28 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.387 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 23' ' ' THR . 39.7 mt -71.9 -49.79 42.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.269 177.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -64.85 -19.7 66.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.579 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.4 ttt85 -58.43 -29.09 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.16 -45.54 1.0 Allowed Glycine 0 C--O 1.224 -0.484 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.224 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 55' ' ' VAL . 30.4 m -75.82 -21.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 117.343 0.572 . . . . 0.0 112.402 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 1.1 tt -108.29 -50.58 3.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.221 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.4 t -68.07 -48.67 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.066 0.46 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.84 -12.39 39.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.25 33.33 77.77 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.63 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -85.7 158.47 56.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.434 0.117 . . . . 0.0 111.153 -173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.19 151.18 86.13 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.009 2.473 . . . . 0.0 113.274 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.3 -30.3 33.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.118 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.77 84.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.071 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -39.96 80.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -33.75 76.5 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.82 -48.71 79.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.117 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -28.38 64.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -73.48 -42.62 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -93.91 -22.64 18.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.7 36.17 4.89 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.071 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -113.09 172.19 7.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.799 0.333 . . . . 0.0 110.608 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 156.23 17.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -59.88 -37.94 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -29.34 72.61 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.413 0.446 . . . . 0.0 113.19 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.27 -36.12 63.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.101 0.477 . . . . 0.0 110.206 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 26' ' ' ILE . 73.0 t -68.89 -42.16 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.015 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.513 ' HA ' HG23 ' A' ' 55' ' ' VAL . 8.0 p -72.39 -22.14 61.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 111.337 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -32.32 70.45 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.528 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -68.32 -36.96 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -63.89 -44.41 98.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.54 -45.59 86.48 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.743 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -60.29 -54.14 49.31 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.85 -36.94 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.121 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.425 ' HE3' HD11 ' A' ' 31' ' ' LEU . 27.9 t-105 -63.52 -42.64 98.46 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.402 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -32.03 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.129 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.94 87.89 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.065 0.459 . . . . 0.0 110.56 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -63.97 -43.47 95.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.673 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.42 -31.5 68.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.32 -38.24 78.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.435 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -80.66 -6.82 58.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.915 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.91 -7.78 56.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 177.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.11 85.5 0.17 Allowed Pre-proline 0 N--CA 1.47 0.533 0 O-C-N 124.353 1.033 . . . . 0.0 111.695 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -71.29 136.97 30.15 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.982 2.455 . . . . 0.0 112.312 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -128.08 138.83 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.455 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.48 42.18 1.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.005 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.49 131.66 55.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.72 165.62 11.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 111.998 -170.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HB3' HG22 ' B' ' 75' ' ' THR . 0.0 OUTLIER -99.19 118.14 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.492 177.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -86.35 133.84 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.992 0.425 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.42 114.91 26.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.358 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.769 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -121.55 150.98 40.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.82 177.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.614 HG23 ' HG2' ' B' ' 90' ' ' GLU . 40.7 t -79.38 118.12 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HB2' HG22 ' B' ' 74' ' ' VAL . 3.3 mt -161.29 148.3 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.98 165.11 19.87 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.847 2.365 . . . . 0.0 113.108 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.41 -18.35 63.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.579 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.7 88.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 176.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -26.18 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.285 177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -59.33 -22.84 61.88 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.89 -46.46 71.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.166 0.508 . . . . 0.0 110.625 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -82.99 -31.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.583 -178.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.682 HG13 ' HB2' ' B' ' 76' ' ' ALA . 54.9 t -62.86 -37.23 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.924 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 87' ' ' ARG . 2.1 ttt85 -62.61 -36.37 82.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -71.59 -39.93 70.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.746 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -73.26 -30.68 63.6 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.665 ' HG2' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -61.42 -42.21 98.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.384 175.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.68 -23.33 45.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.396 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -38.68 31.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.62 58.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.549 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -18.17 58.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.397 176.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -22.33 62.89 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.166 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -70.3 -25.49 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -23.26 19.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.066 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -167.2 1.75 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.932 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -42.28 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 100' ' ' LYS . 16.9 mmtm 56.84 49.84 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.784 0.677 . . . . 0.0 111.194 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.983 -178.854 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.85 118.59 35.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 110.989 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.539 ' HD3' ' HZ2' ' B' ' 59' ' ' TRP . 0.0 OUTLIER -85.34 110.29 19.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.891 176.216 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.64 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 4.0 mtp-105 -93.3 169.7 10.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 9.0 tp -117.49 149.42 40.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.31 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 157.62 17.36 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.92 -31.87 72.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -51.35 62.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.45 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.445 ' HG2' ' HE1' ' B' ' 62' ' ' PHE . 7.9 mp0 -72.86 -26.95 61.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -65.93 -47.15 75.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -31.57 66.42 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.56 -30.7 66.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.259 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.425 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -69.62 -46.79 65.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.036 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.06 0.36 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.915 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -43.59 90.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.509 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.81 37.46 3.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.33 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -132.24 133.14 43.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.628 0.251 . . . . 0.0 110.77 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.13 84.35 6.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.583 0.706 . . . . 0.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.48 142.48 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.695 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.13 159.56 52.87 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.57 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -66.09 -21.45 66.36 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.084 -0.558 . . . . 0.0 111.869 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -44.11 91.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.591 0.234 . . . . 0.0 110.612 176.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.21 -31.76 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.168 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.097 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' B' ' 51' ' ' VAL . 56.0 mt -71.94 -50.92 34.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' B' ' 31' ' ' LEU . . . -65.96 -23.86 66.68 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.679 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.6 -35.25 75.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.007 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.97 1.84 Allowed Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.771 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.563 HG21 HG22 ' B' ' 55' ' ' VAL . 35.1 m -69.84 -34.11 58.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 -174.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' B' ' 27' ' ' ALA . 20.4 mt -96.39 -59.28 1.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.246 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 6.4 t -66.18 -52.19 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 111.688 -175.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.583 ' HB3' ' HD2' ' B' ' 35' ' ' LYS . 1.1 t0 -82.61 -17.26 45.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.268 0.556 . . . . 0.0 110.346 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.64 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 74.78 44.61 24.69 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.775 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.583 ' HD2' ' HB3' ' B' ' 33' ' ' ASP . 2.0 mttt -92.61 146.27 32.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.75 149.55 89.51 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.703 2.269 . . . . 0.0 112.827 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -39.84 24.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.473 -170.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.94 90.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.849 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -36.03 78.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.239 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -40.94 98.51 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.91 -55.34 34.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.492 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.4 m -68.76 -32.22 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 32.8 m -73.17 -37.23 66.6 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -19.98 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.661 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.52 31.13 8.06 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.048 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.54 168.67 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 110.262 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.01 156.84 19.1 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.847 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -36.77 84.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.38 -32.12 71.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.992 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.04 -41.6 64.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.993 0.396 . . . . 0.0 110.79 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.613 ' HA ' HD13 ' B' ' 26' ' ' ILE . 38.7 t -63.43 -47.85 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.033 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -68.24 -26.25 65.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -35.35 75.33 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.545 0.212 . . . . 0.0 110.684 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.21 81.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.563 HG22 HG21 ' B' ' 30' ' ' VAL . 27.9 t -59.71 -51.07 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.757 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -42.17 92.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.255 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' B' ' 57' ' ' ARG . 16.4 tpp180 -64.09 -50.12 69.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.6 t -71.32 -40.7 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.763 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.539 ' HZ2' ' HD3' ' B' ' 3' ' ' LYS . 25.4 t-105 -65.73 -35.4 80.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.5 84.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.972 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.09 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.474 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.445 ' HE1' ' HG2' ' B' ' 9' ' ' GLN . 30.0 t80 -62.91 -42.93 99.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.71 -40.55 72.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -40.54 76.97 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.553 -176.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -12.44 60.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 111.388 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 0.38 57.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.409 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.6 96.21 0.05 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 124.043 0.839 . . . . 0.0 110.493 -175.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.92 76.43 2.94 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.197 2.598 . . . . 0.0 112.829 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.26 95.4 10.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.66 61.76 0.3 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.48 159.63 29.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.775 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.64 146.2 29.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -127.74 115.58 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.086 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.4 m -85.93 143.84 10.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -129.98 124.97 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.926 0.393 . . . . 0.0 111.239 -177.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.682 ' HB2' HG13 ' A' ' 86' ' ' VAL . . . -134.5 155.6 50.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.824 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG2' ' A' ' 90' ' ' GLU . 21.8 t -77.91 123.21 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 173.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.671 HD22 ' HG3' ' B' ' 82' ' ' GLN . 17.9 mt -158.96 152.33 18.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.26 170.84 15.06 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.26 1.973 . . . . 0.0 112.724 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . 0.488 ' H ' ' HG3' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -69.33 -19.79 63.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.314 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -47.27 80.13 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.245 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.671 ' HG3' HD22 ' B' ' 78' ' ' LEU . 37.0 mm-40 -73.3 -31.3 63.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.111 178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.607 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -64.08 -25.37 68.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.006 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -55.53 -48.76 74.17 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.168 0.508 . . . . 0.0 110.565 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -80.84 -25.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.806 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.8 t -62.28 -39.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.807 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -68.83 -29.44 67.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.834 0.35 . . . . 0.0 111.028 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -42.51 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.241 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -70.22 -32.97 71.08 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.614 ' HG2' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -57.31 -44.83 84.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.084 178.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.02 -32.9 45.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.438 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -33.85 67.43 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.11 79.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -16.79 60.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -8.98 58.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.448 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -25.93 65.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.621 0.248 . . . . 0.0 111.632 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.403 ' H ' ' HG3' ' B' ' 97' ' ' GLN . 1.2 mt-30 -85.34 -23.49 28.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.122 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.84 164.97 12.7 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.318 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.76 -26.51 9.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.404 177.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 58.66 61.27 2.25 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.194 0.934 . . . . 0.0 110.802 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 101' ' ' ARG . 10.3 mtt-85 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.08 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 119.822 -0.133 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 tttt 59.63 -138.03 0.72 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 123.522 0.514 . . . . 0.0 109.817 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -112.3 34.63 4.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -84.64 112.15 20.19 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.424 -178.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 12.9 tp -101.82 148.0 25.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.538 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.14 157.53 30.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.554 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -63.01 -39.12 93.81 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.776 -175.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -36.96 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -78.29 -28.89 47.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.13 -40.6 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.23 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.62 88.94 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.273 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.67 -32.86 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.101 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.96 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.939 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.0 -17.51 8.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.32 113.37 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.64 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.6 1.34 62.11 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.245 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.4 mm? -103.76 145.02 30.7 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.683 0.278 . . . . 0.0 110.671 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -82.75 84.03 7.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.68 0.753 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.44 135.39 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.391 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.23 161.75 53.23 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.965 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.49 -32.03 73.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -72.04 -37.53 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 m -59.42 -45.13 92.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.152 0.501 . . . . 0.0 110.729 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -32.59 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -38.82 76.65 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.603 0.24 . . . . 0.0 110.8 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG21 ' HA ' ' A' ' 51' ' ' VAL . 37.9 mt -70.02 -50.22 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -65.58 -19.92 66.11 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.952 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -64.53 -29.64 70.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.985 0.421 . . . . 0.0 111.315 178.008 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.55 -32.15 2.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.818 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -71.97 -44.29 66.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.811 0.339 . . . . 0.0 111.054 -177.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD12 ' HB1' ' A' ' 27' ' ' ALA . 26.3 mt -94.44 -51.88 4.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.221 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 30.3 t -63.87 -38.68 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -93.26 -10.65 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.791 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 69.78 37.7 76.05 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.215 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -84.54 159.64 58.07 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.269 -0.466 . . . . 0.0 111.671 -172.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.36 144.16 50.04 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.728 2.285 . . . . 0.0 111.292 170.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -72.91 -36.04 67.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.0 -172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.22 93.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -41.18 94.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.914 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -40.7 69.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.057 -176.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -65.2 -51.79 58.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.674 -177.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -74.19 -27.0 60.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -80.72 -37.7 30.12 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.564 -0.455 . . . . 0.0 112.146 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 -19.03 24.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.535 0.207 . . . . 0.0 111.513 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.78 14.4 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.477 -175.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.54 162.82 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.25 154.74 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -68.09 -38.28 82.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.52 0.2 . . . . 0.0 110.663 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.84 -29.25 71.1 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.586 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.96 -37.02 59.05 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.761 0.28 . . . . 0.0 110.951 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.511 ' HA ' HG21 ' A' ' 26' ' ' ILE . 52.3 t -69.08 -41.36 81.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.074 0.464 . . . . 0.0 110.266 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 55' ' ' VAL . 19.3 m -71.87 -22.02 61.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.386 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.84 -39.76 72.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.661 0.267 . . . . 0.0 110.291 173.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.72 90.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.932 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.535 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 2.6 p -68.44 -39.39 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -51.31 57.68 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.149 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 2.0 tpt180 -68.55 -48.13 65.07 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.27 -42.67 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 110.98 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.14 -44.91 87.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.252 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.41 72.58 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.327 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.65 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.258 0.348 . . . . 0.0 111.023 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -70.35 -44.66 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.93 -35.67 81.9 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -73.26 -32.37 64.66 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -60.08 -45.1 94.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -95.22 5.6 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.562 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -82.87 119.08 73.7 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.166 177.733 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 2.4 Cg_endo -81.65 74.97 5.09 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.276 2.651 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.14 142.93 35.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.423 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.53 -41.75 1.42 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.51 125.47 48.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.48 132.27 51.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.957 0.408 . . . . 0.0 111.01 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.583 ' HG2' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -83.48 103.58 12.94 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.5 m -92.21 148.97 4.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.303 -173.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.618 HG23 HG23 ' B' ' 75' ' ' THR . 0.2 OUTLIER -125.74 114.41 18.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.65 178.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -135.03 156.6 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.039 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.832 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 3.1 t -87.1 120.41 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -152.82 152.04 27.68 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.11 155.0 62.09 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 121.703 1.602 . . . . 0.0 111.168 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 1.4 tp10 -65.82 -19.2 65.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.082 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.14 -51.93 67.9 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 86' ' ' VAL . 20.6 mm-40 -73.03 -40.5 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.898 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -61.29 -22.71 65.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.809 -177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -52.27 -44.92 65.21 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.417 0.448 . . . . 0.0 110.737 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.64 -28.48 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 82' ' ' GLN . 29.9 t -68.11 -30.7 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -66.49 -31.5 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.649 0.261 . . . . 0.0 111.275 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.06 -37.5 64.23 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -67.7 -31.56 71.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.856 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 0.9 OUTLIER -64.26 -45.33 88.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.754 176.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.18 -30.37 68.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.991 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.39 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.823 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.57 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -69.91 -38.37 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.455 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 2.3 tptt -69.0 -33.44 73.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.874 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -24.79 67.71 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.888 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -23.18 64.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.737 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.77 11.44 20.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.14 178.12 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -177.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.87 115.99 7.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.948 0.404 . . . . 0.0 110.783 -177.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -86.75 117.82 25.75 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.643 -173.402 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.811 0.339 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.58 -179.84 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -88.01 56.27 3.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.69 0.757 . . . . 0.0 109.16 171.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -90.87 126.66 36.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.491 -173.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -110.31 169.54 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.81 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.89 160.48 14.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.767 ' HG2' HG11 ' B' ' 32' ' ' VAL . 2.6 mt-10 -66.27 -23.76 66.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.18 24.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 0.0 110.968 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -25.27 63.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.564 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.39 -50.89 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.46 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -33.33 75.6 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.511 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -35.65 76.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.165 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.55 -41.97 53.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.965 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 pt -76.66 -14.83 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.55 111.58 9.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.402 . . . . 0.0 110.237 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.06 -5.06 41.84 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.576 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -101.78 138.91 38.14 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.983 0.42 . . . . 0.0 110.843 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 18' ' ' GLU . 3.0 pt-20 -86.71 84.51 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.22 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.33 135.74 62.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.978 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.18 160.34 53.88 Favored Glycine 0 N--CA 1.439 -1.149 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.237 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.03 -33.25 67.01 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.255 0.622 . . . . 0.0 112.259 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -60.93 -50.85 71.73 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.304 0.377 . . . . 0.0 111.157 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.514 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -63.41 -36.81 84.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 111.448 -179.19 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.7 mt -69.33 -34.99 65.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.683 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -36.62 69.65 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' B' ' 23' ' ' THR . 26.6 mt -65.29 -50.51 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.211 178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' B' ' 31' ' ' LEU . . . -63.14 -25.28 68.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.869 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.669 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.6 mtp180 -65.81 -28.55 69.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.502 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.568 ' HA3' ' HE2' ' B' ' 40' ' ' PHE . . . -104.57 -42.59 1.83 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.089 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.24 -40.56 87.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 123.068 0.547 . . . . 0.0 111.073 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.774 HD21 HG23 ' B' ' 55' ' ' VAL . 42.1 mt -96.86 -54.96 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.339 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.767 HG11 ' HG2' ' B' ' 7' ' ' GLU . 56.7 t -68.83 -37.47 77.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.613 ' HB3' ' HG3' ' B' ' 35' ' ' LYS . 3.6 t0 -94.15 -9.89 34.97 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.691 -0.631 . . . . 0.0 110.553 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 72.65 30.96 63.3 Favored Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.265 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.613 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 16.9 mttm -86.57 154.2 56.18 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.627 -0.287 . . . . 0.0 110.982 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.63 152.77 70.04 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.834 2.356 . . . . 0.0 112.706 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.18 -36.48 77.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.489 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.03 85.69 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.266 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.31 90.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.753 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.568 ' HE2' ' HA3' ' B' ' 29' ' ' GLY . 0.2 OUTLIER -69.34 -33.27 72.86 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.671 -175.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -60.17 -47.29 86.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -28.73 60.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.158 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.0 m -69.54 -47.22 64.42 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -17.38 17.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.682 -176.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.74 35.21 9.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.276 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.42 169.98 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.68 159.17 18.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 169.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -63.8 -34.45 77.94 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.659 0.266 . . . . 0.0 111.28 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.62 -28.62 67.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.339 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.37 -37.3 66.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.059 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' B' ' 26' ' ' ILE . 58.6 t -67.59 -43.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.182 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -72.67 -20.15 61.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.514 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -70.1 -33.89 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.92 71.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.728 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.774 HG23 HD21 ' B' ' 31' ' ' LEU . 1.5 p -68.68 -37.17 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -37.4 87.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.744 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -56.23 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.851 -176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.27 -44.68 72.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.879 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.69 -43.87 83.23 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.375 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.32 72.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.508 0.194 . . . . 0.0 111.492 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.18 80.71 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.543 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -60.65 -45.48 93.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.15 -43.07 99.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.275 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.516 ' HA ' ' HB2' ' B' ' 67' ' ' LEU . 3.3 t0 -72.01 -20.51 61.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.724 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.38 -25.94 62.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.402 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -115.89 12.68 15.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.498 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' B' ' 64' ' ' ASP . 0.8 OUTLIER -96.44 121.6 59.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 -179.665 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 67' ' ' LEU . 8.0 Cg_exo -73.7 144.96 36.14 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.134 2.556 . . . . 0.0 112.881 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.79 165.39 19.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.008 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.28 -69.24 0.93 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.017 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -101.58 125.95 48.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.68 161.27 25.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.449 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.612 ' HD3' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -92.02 104.68 17.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 178.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.424 HG11 ' HB2' ' A' ' 83' ' ' ALA . 29.0 m -95.23 148.18 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.368 -176.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . 0.618 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.4 127.56 54.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 178.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.856 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -148.94 165.99 29.94 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.702 HG23 ' HG2' ' A' ' 90' ' ' GLU . 2.4 t -96.62 124.67 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 82' ' ' GLN . 0.1 OUTLIER -151.36 152.2 30.46 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -176.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.1 141.07 87.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.204 1.936 . . . . 0.0 111.531 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.52 -28.44 69.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.384 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -37.38 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 78' ' ' LEU . 0.5 OUTLIER -73.15 -38.21 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.319 175.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -62.27 -22.97 66.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.791 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -52.71 -45.41 66.91 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.559 0.537 . . . . 0.0 110.539 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.451 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -84.24 -31.62 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 -179.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 95.7 t -64.14 -34.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.917 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' B' ' 90' ' ' GLU . 8.4 tpt180 -60.47 -33.19 72.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.465 176.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -38.64 76.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.85 0.357 . . . . 0.0 110.58 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -76.54 -30.06 56.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.34 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.832 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 31.7 tt0 -66.16 -48.38 70.94 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.349 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.9 66.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.58 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 -32.38 52.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.2 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -65.64 -40.18 92.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 110.344 176.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -77.59 -24.84 49.63 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 177.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' B' ' 98' ' ' GLU . 4.1 ttpt -73.86 -25.24 59.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.3 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -21.04 62.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.513 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.98 3.39 41.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.025 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.614 ' HB2' ' HA ' ' B' ' 95' ' ' LYS . 3.5 mt-10 -105.76 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.518 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.27 80.5 1.4 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 172.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -74.44 131.56 41.17 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.108 -170.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.519 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.08 72.16 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.283 0.563 . . . . 0.0 110.266 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 168.18 9.43 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.049 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -85.42 108.94 18.1 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD13 ' CH2' ' A' ' 59' ' ' TRP . 5.2 tp -89.31 169.46 11.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.572 -175.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -102.96 166.22 10.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 172.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.58 -22.15 66.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.439 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.418 ' OG ' ' HB ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.89 -56.84 13.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.127 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -68.26 -32.65 72.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.138 0.494 . . . . 0.0 110.172 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' HE1' ' HB3' ' A' ' 27' ' ' ALA . 87.6 t80 -60.35 -53.0 62.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.573 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -66.56 -30.36 70.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.766 -178.498 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 57.4 mt-10 -66.4 -38.3 87.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.95 -49.43 29.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.43 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -75.76 -22.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.5 tp60 -64.8 -34.2 77.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.892 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.3 15.89 62.38 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.833 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -128.31 162.89 26.0 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.092 0.472 . . . . 0.0 111.198 -177.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -113.82 92.55 4.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.206 174.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.14 147.14 30.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.53 157.14 45.08 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.455 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.62 -39.27 93.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.439 0.162 . . . . 0.0 111.439 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.597 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -62.93 -44.03 97.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.799 0.333 . . . . 0.0 110.182 177.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -59.37 -39.05 82.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.781 177.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -69.17 -52.56 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.938 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 22' ' ' GLN . 3.5 pt-20 -61.03 -36.26 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.695 -174.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 85.7 mt -70.32 -48.32 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.854 -178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB3' ' HE1' ' A' ' 10' ' ' PHE . . . -60.52 -30.8 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.702 -176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.714 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 15.1 ttp85 -67.42 -29.38 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.7 -22.24 16.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.573 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 31' ' ' LEU . 2.2 t -84.93 -51.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.987 0.423 . . . . 0.0 111.069 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 55' ' ' VAL . 30.0 mt -92.6 -49.14 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.219 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 51.7 t -67.22 -29.89 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 111.32 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.61 -10.27 25.43 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.226 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 58.23 49.26 77.51 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.648 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -111.84 159.81 32.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-O 120.678 0.275 . . . . 0.0 111.468 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.59 133.19 41.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.895 2.396 . . . . 0.0 112.172 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.66 -30.9 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.033 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.44 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.242 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.23 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.336 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -41.45 95.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.008 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.21 73.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.113 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -32.3 73.8 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.948 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.3 m -78.63 -43.58 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.651 0.262 . . . . 0.0 111.343 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.401 HD23 HD22 ' A' ' 46' ' ' LEU . 3.4 mp -82.18 -22.96 35.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.709 0.29 . . . . 0.0 111.26 -176.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 15.26 71.28 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.408 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.433 HD21 ' HG2' ' A' ' 22' ' ' GLN . 3.6 mp -90.13 167.04 13.04 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.33 154.8 37.11 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -34.93 79.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.774 0.321 . . . . 0.0 110.584 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.93 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.253 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.45 72.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' HA ' HD13 ' A' ' 26' ' ' ILE . 76.2 t -66.57 -42.36 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 m -73.03 -20.78 60.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.74 -34.09 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.223 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.804 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -63.5 -49.21 74.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.132 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.649 ' HA ' HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.51 -38.49 82.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -41.15 96.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -75.98 -54.2 7.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.41 -46.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.729 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.563 ' HE3' HD13 ' A' ' 31' ' ' LEU . 18.6 t-105 -66.6 -37.71 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.02 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.07 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -63.11 -47.07 84.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.1 -42.83 95.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.117 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' OE2' ' HB2' ' A' ' 1' ' ' MET . 3.5 mm-40 -68.81 -46.48 68.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CG ' ' HE2' ' B' ' 81' ' ' HIS . 35.8 t70 -67.51 -28.11 67.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -68.17 -14.59 63.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.583 -179.54 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -73.93 -21.89 59.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.857 178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt 55.06 69.76 1.89 Allowed Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.97 -161.06 0.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.324 2.683 . . . . 0.0 112.482 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 123.4 12.04 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.309 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' B' ' 79' ' ' PRO . . . -174.94 33.48 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.938 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.69 122.19 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 158.45 43.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.893 0.378 . . . . 0.0 111.179 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -74.99 105.91 6.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.705 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.64 138.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.637 HG23 HG23 ' B' ' 75' ' ' THR . 0.0 OUTLIER -113.39 129.17 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.944 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.61 ' HA ' ' HG3' ' B' ' 90' ' ' GLU . . . -152.05 151.15 30.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.005 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 ' HB3' ' B' ' 93' ' ' ALA . 4.0 p -86.83 136.8 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.55 153.34 21.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.469 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 29.5 Cg_endo -64.99 136.02 46.59 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.855 1.703 . . . . 0.0 110.793 171.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -55.27 -29.26 57.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.629 -176.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 13.9 m80 -61.9 -51.02 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.469 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 3.9 mp0 -72.85 -30.32 63.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -63.35 -23.71 67.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.276 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -57.54 -35.64 70.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.507 176.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 mt -75.96 -37.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.541 . . . . 0.0 109.827 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.21 -31.13 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.725 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -41.03 67.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 176.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -78.9 -30.77 45.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.708 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.2 -32.68 69.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.842 ' HG3' ' HA ' ' B' ' 76' ' ' ALA . 4.3 tt0 -60.53 -41.4 94.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.125 0.488 . . . . 0.0 110.141 175.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.93 60.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.798 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.65 -46.73 74.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.31 75.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -67.6 -43.18 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.327 0.584 . . . . 0.0 109.969 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -23.79 63.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.05 -29.14 68.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -77.85 -32.91 52.37 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.33 36.27 23.41 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.819 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.66 76.75 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -122.1 81.61 1.85 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.414 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.924 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.458 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -154.77 122.15 5.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.85 -179.25 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.641 0.258 . . . . 0.0 110.728 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.613 ' HG3' ' HA3' ' B' ' 34' ' ' GLY . 0.2 OUTLIER -87.16 146.03 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.88 177.428 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.0 tp -126.29 146.85 49.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.76 157.43 23.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.122 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.58 ' HG2' HG11 ' B' ' 32' ' ' VAL . 8.2 mt-10 -59.46 -34.64 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.28 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -52.06 65.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.81 -32.61 69.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.447 ' CE2' ' HG2' ' B' ' 28' ' ' ARG . 44.5 t80 -60.25 -54.27 47.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.816 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.14 -26.64 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -37.65 82.14 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.749 177.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.71 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.364 -177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -80.56 2.04 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -68.18 -37.83 81.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.665 0.269 . . . . 0.0 111.608 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.42 7.28 36.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.742 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 17' ' ' LEU . 1.8 mm? -103.86 150.29 24.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.425 . . . . 0.0 111.843 -175.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.26 84.68 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.611 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.67 132.31 71.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.826 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.29 170.98 47.06 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.041 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -55.95 -44.02 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -177.033 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.417 ' OE1' HD21 ' B' ' 46' ' ' LEU . 28.1 mm-40 -60.81 -44.31 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.208 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.715 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -56.24 -42.96 78.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.934 0.397 . . . . 0.0 110.904 178.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -70.31 -53.63 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.3 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 43.3 mt-10 -62.44 -38.52 90.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.759 -174.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.647 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 75.5 mt -65.88 -47.24 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.621 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.431 ' HB3' ' HE1' ' B' ' 10' ' ' PHE . . . -65.4 -25.1 67.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.565 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 1.1 tmm_? -61.7 -28.73 69.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.916 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -103.77 -37.34 3.0 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.464 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.508 HG11 ' HB ' ' B' ' 55' ' ' VAL . 2.6 t -69.7 -51.87 37.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.837 0.351 . . . . 0.0 111.351 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.541 HD21 HG23 ' B' ' 55' ' ' VAL . 20.1 mt -90.5 -44.25 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.704 -173.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.9 t -73.75 -41.53 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.9 t0 -83.57 -12.34 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.613 ' HA3' ' HG3' ' B' ' 4' ' ' ARG . . . 65.84 50.53 52.63 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.168 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.591 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -120.08 154.18 55.65 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.627 0.251 . . . . 0.0 111.586 -171.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.591 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 12.3 Cg_endo -57.78 149.16 70.67 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.966 2.444 . . . . 0.0 112.203 175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -86.32 -25.06 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.376 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.22 81.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.286 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.41 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.346 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.647 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 1.5 t80 -64.34 -43.05 95.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.55 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.778 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -59.28 -38.63 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.858 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -70.14 -42.76 72.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -17.48 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.454 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.76 29.19 39.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.227 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.437 HD23 HD11 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -100.44 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.29 154.02 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -34.01 70.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.24 -42.3 99.74 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.702 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.05 82.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.915 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.462 ' HA ' HD13 ' B' ' 26' ' ' ILE . 53.9 t -62.85 -45.48 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -19.23 62.68 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.903 0.382 . . . . 0.0 111.26 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.07 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.863 0.363 . . . . 0.0 110.136 175.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.715 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -62.75 -48.78 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.502 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.541 HG23 HD21 ' B' ' 31' ' ' LEU . 0.9 OUTLIER -62.59 -42.37 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.319 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.45 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.371 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -49.4 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.33 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.94 -41.79 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.6 -39.56 93.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.82 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.4 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.013 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.73 -47.7 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.458 ' OE2' ' HB2' ' B' ' 1' ' ' MET . 2.3 tt0 -64.53 -28.84 69.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.823 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.14 -40.26 93.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.539 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -21.76 62.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.014 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.16 -13.37 58.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.422 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tp 58.95 89.75 0.1 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.093 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.01 158.13 58.76 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.599 2.199 . . . . 0.0 110.853 172.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 81.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.284 0.564 . . . . 0.0 111.003 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 79' ' ' PRO . . . -117.94 43.01 1.7 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.396 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -88.73 118.96 28.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.7 158.05 45.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 1.1 ttm-85 -75.3 105.87 6.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.816 175.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 m -103.19 137.31 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.283 0.564 . . . . 0.0 111.373 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . 0.637 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -105.57 132.41 51.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.702 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.842 ' HA ' ' HG3' ' A' ' 90' ' ' GLU . . . -145.31 171.64 14.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.012 0.434 . . . . 0.0 111.076 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 t -110.97 126.77 68.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -151.24 155.43 34.68 Favored Pre-proline 0 C--N 1.319 -0.751 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.518 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 39.4 Cg_exo -60.84 132.89 44.72 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.11 1.873 . . . . 0.0 111.253 174.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -18.88 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.514 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . 0.446 ' HE2' ' CG ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -66.0 -44.21 85.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.978 174.671 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -73.18 -27.03 61.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.5 47.48 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' B' ' 87' ' ' ARG . 43.2 t80 -58.04 -41.61 83.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.832 0.349 . . . . 0.0 110.315 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.91 -28.99 15.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.212 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.37 -38.56 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.268 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' B' ' 84' ' ' TYR . 0.0 OUTLIER -57.64 -40.3 78.95 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 110.36 175.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -40.53 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.353 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -66.03 -35.14 79.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.61 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -62.57 -46.08 89.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 110.515 177.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -31.61 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.207 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' B' ' 96' ' ' LYS . 18.0 t70 -71.04 -35.95 72.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.233 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.629 ' HB3' HG13 ' A' ' 77' ' ' VAL . . . -64.61 -36.77 85.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.013 0.435 . . . . 0.0 110.341 176.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -71.46 -36.05 71.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.077 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -77.1 -9.56 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.923 178.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' B' ' 92' ' ' ASP . 0.0 OUTLIER -78.63 -17.05 56.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -100.49 -48.81 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 95' ' ' LYS . 0.4 OUTLIER 52.86 47.82 23.83 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.694 175.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.14 30.24 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.529 0.681 . . . . 0.0 110.513 174.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -83.2 102.4 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.658 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.454 ' HE ' ' HB3' ' B' ' 101' ' ' ARG . 3.9 mtp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.406 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.001 0.429 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.46 34.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.448 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -81.74 84.89 6.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.379 0.609 . . . . 0.0 109.606 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -124.26 146.74 48.57 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.79 -176.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HG ' ' CZ3' ' A' ' 59' ' ' TRP . 6.9 mt -133.21 156.4 47.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.865 0.364 . . . . 0.0 111.254 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.31 155.91 17.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 166.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.04 -22.88 67.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.719 0.295 . . . . 0.0 111.617 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -46.89 77.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.178 176.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -74.54 -25.78 59.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.878 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 14' ' ' ILE . 44.3 t80 -67.57 -43.56 80.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.367 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -36.63 84.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.41 -37.04 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.061 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.95 -45.76 40.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.385 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 10' ' ' PHE . 19.0 pt -72.26 -39.23 63.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.57 -177.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 1.6 mt-30 36.57 -109.18 0.06 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.422 1.089 . . . . 0.0 113.525 176.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -120.88 33.13 4.53 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.7 mm? -73.87 153.72 39.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.27 83.42 7.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.569 0.699 . . . . 0.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.99 137.57 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.506 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.51 144.56 35.85 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.399 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -61.41 -25.91 67.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.559 ' O ' HG12 ' A' ' 26' ' ' ILE . 4.0 tt0 -66.56 -47.65 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 174.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -67.49 -32.85 73.94 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 179.457 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 21' ' ' GLN . 90.7 mt -64.59 -41.75 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 110.262 175.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -33.58 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.193 176.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.615 ' HA ' ' HE2' ' A' ' 40' ' ' PHE . 27.8 mm -70.14 -46.72 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.96 70.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -38.62 89.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.715 176.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.67 -4.08 87.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.95 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG23 ' HG ' ' A' ' 31' ' ' LEU . 16.9 m -111.76 -49.0 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 117.795 0.797 . . . . 0.0 111.251 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 55' ' ' VAL . 13.1 mt -81.89 -59.27 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.499 0.19 . . . . 0.0 110.677 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.1 t -64.96 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.749 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.05 -34.71 64.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 98.05 51.02 1.53 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.594 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -143.24 159.96 53.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.921 0.361 . . . . 0.0 111.198 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -63.38 164.43 20.42 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.806 2.337 . . . . 0.0 112.692 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.635 ' HG2' HG21 ' A' ' 55' ' ' VAL . 22.2 mt-30 -74.26 -34.29 63.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.879 -174.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.65 70.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.104 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.22 90.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.465 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.615 ' HE2' ' HA ' ' A' ' 26' ' ' ILE . 1.8 t80 -67.91 -33.33 74.49 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -59.57 -42.36 92.28 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.92 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -28.76 67.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -73.45 -47.15 43.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.27 -20.86 19.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.677 0.275 . . . . 0.0 111.595 -177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.49 31.74 7.72 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.783 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -95.23 167.62 11.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.715 0.293 . . . . 0.0 110.271 178.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.22 161.2 15.16 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -61.72 -39.91 93.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.75 93.59 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.072 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.78 -38.98 73.45 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.829 0.347 . . . . 0.0 111.082 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 26' ' ' ILE . 90.5 t -69.31 -42.02 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.289 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 58.3 m -66.08 -22.95 66.43 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.847 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 10.1 tp-100 -64.76 -41.23 96.06 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -69.52 -43.68 72.56 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.054 178.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.658 HG13 HD21 ' A' ' 31' ' ' LEU . 59.3 t -61.02 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.302 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -62.75 -47.59 82.88 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.921 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HD3' ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -67.51 -43.11 81.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -174.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.5 t -76.59 -46.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.114 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CZ3' ' HG ' ' A' ' 5' ' ' LEU . 18.2 t-105 -65.42 -35.98 82.55 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.28 90.51 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.427 0.156 . . . . 0.0 111.328 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.23 -28.57 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.21 -52.43 41.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.807 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.78 -27.85 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.334 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.04 -37.8 88.76 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.127 0.489 . . . . 0.0 110.388 174.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -81.17 -8.33 59.74 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.013 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -117.85 48.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.115 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.79 91.16 38.22 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -89.51 -8.59 4.45 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.36 2.707 . . . . 0.0 112.816 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -121.32 129.92 53.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.038 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.29 -21.22 59.04 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.324 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.34 118.6 33.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 110.832 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.82 158.99 25.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.571 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HB3' HG22 ' B' ' 75' ' ' THR . 4.8 mtt180 -95.78 116.32 28.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.041 0.448 . . . . 0.0 110.018 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.6 m -85.52 140.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.306 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.689 HG22 ' HB3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.93 125.82 32.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.351 -173.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -132.86 156.03 47.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.114 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' HB3' ' B' ' 93' ' ' ALA . 46.6 t -78.03 111.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD22 ' HG2' ' A' ' 82' ' ' GLN . 0.3 OUTLIER -155.53 150.78 21.1 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.288 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.493 ' HD2' HD23 ' A' ' 78' ' ' LEU . 40.7 Cg_endo -66.39 163.77 30.95 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.332 2.021 . . . . 0.0 113.465 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -69.91 -18.97 63.42 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.115 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -69.23 -34.8 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.643 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.701 ' HG2' HD22 ' A' ' 78' ' ' LEU . 26.6 tp60 -72.66 -31.5 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.06 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.45 -22.55 66.95 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.32 -47.23 72.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.189 0.519 . . . . 0.0 110.241 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.511 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -81.37 -32.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.545 -178.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.561 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 69.7 t -64.96 -33.29 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.814 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.55 91.43 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.889 176.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -28.0 56.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -74.39 -33.37 63.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.551 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 17.7 tt0 -72.57 -28.31 62.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.755 0.312 . . . . 0.0 110.528 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.99 78.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.274 174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -27.04 36.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.871 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' B' ' 77' ' ' VAL . . . -69.32 -36.38 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.144 175.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -24.59 57.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -78.01 -9.66 59.23 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -33.47 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 109.799 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -40.69 11.44 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.44 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -104.99 80.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.936 0.874 . . . . 0.0 109.425 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -30.01 63.29 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.298 -1.319 . . . . 0.0 112.507 -173.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 58.3 77.16 0.3 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.898 0.749 . . . . 0.0 110.714 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 101' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.098 0 O-C-N 124.153 0.908 . . . . 0.0 110.987 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.007 0.432 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 91.25 6.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.428 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -110.0 86.27 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.452 0.644 . . . . 0.0 109.778 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.545 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.1 OUTLIER -124.06 130.83 53.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.344 -177.113 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 7.2 mt -120.54 155.47 33.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.18 169.86 10.07 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.96 -32.59 73.93 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.028 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -35.89 78.92 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.593 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -77.98 -27.53 49.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.924 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.07 -35.6 76.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.695 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.32 -33.38 74.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.776 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.9 -49.21 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.09 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 pt -74.05 -42.37 52.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 CA-C-O 119.238 -0.41 . . . . 0.0 111.731 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.522 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.4 OUTLIER 45.25 -104.89 0.09 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . 0.522 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -126.33 26.33 5.26 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.426 ' HA ' HD13 ' B' ' 17' ' ' LEU . 1.9 mm? -70.14 140.95 52.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.78 0.432 . . . . 0.0 110.903 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 84.27 7.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.887 0.851 . . . . 0.0 110.335 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.97 140.05 49.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.604 176.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.64 50.33 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.663 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.97 -29.8 69.87 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.525 0.33 . . . . 0.0 111.476 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.51 ' O ' HG12 ' B' ' 26' ' ' ILE . 1.2 tp-100 -64.19 -48.08 77.3 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 174.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.573 HG22 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.93 -33.32 75.74 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.425 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.83 -44.26 89.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.101 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -26.58 68.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.757 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.584 ' HA ' ' HE2' ' B' ' 40' ' ' PHE . 11.2 mm -68.0 -49.82 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -30.01 68.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.88 -33.93 75.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.518 ' O ' ' HE2' ' B' ' 35' ' ' LYS . . . -88.58 -4.81 75.9 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.688 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.677 HG23 ' HG ' ' B' ' 31' ' ' LEU . 15.5 m -112.02 -48.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 117.563 0.682 . . . . 0.0 111.086 174.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.677 ' HG ' HG23 ' B' ' 30' ' ' VAL . 10.0 mt -83.3 -58.38 2.86 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.319 -0.238 . . . . 0.0 110.928 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 8.3 t -66.03 -36.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.889 0.376 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -76.05 -37.3 58.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.313 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.545 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 96.29 51.08 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.42 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' B' ' 29' ' ' GLY . 0.0 OUTLIER -147.58 153.48 43.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.975 0.388 . . . . 0.0 110.844 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.63 166.88 14.52 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.89 2.393 . . . . 0.0 113.368 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' B' ' 55' ' ' VAL . 10.0 mt-30 -74.48 -31.49 62.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.071 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.75 90.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.794 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -43.12 99.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.584 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -71.16 -34.16 70.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.147 -178.109 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.72 84.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.004 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -34.48 62.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 m -70.62 -54.64 11.2 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.85 -7.16 54.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.09 41.06 8.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.986 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.75 165.14 11.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.083 0.468 . . . . 0.0 110.592 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 51' ' ' VAL . 0.0 OUTLIER -88.25 157.08 18.88 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.421 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -41.58 90.37 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.23 -25.92 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.967 -0.561 . . . . 0.0 113.028 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -40.32 60.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 110.888 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 47' ' ' THR . 19.6 t -66.78 -46.22 86.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.026 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 45.8 m -66.03 -22.44 66.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -44.58 72.06 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.656 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.573 ' HB2' HG22 ' B' ' 23' ' ' THR . . . -68.87 -40.01 79.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.823 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.591 HG13 HD21 ' B' ' 31' ' ' LEU . 89.4 t -62.72 -45.77 98.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.35 176.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -64.58 -44.0 92.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.752 -178.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -65.77 -51.42 59.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.788 0.328 . . . . 0.0 111.565 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.63 -46.0 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.095 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.518 ' HZ3' ' HG ' ' B' ' 5' ' ' LEU . 14.9 t-105 -67.1 -36.88 82.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.0 91.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.02 -28.03 64.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -75.9 -56.25 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.09 -47.26 52.69 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.57 -39.54 91.76 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.689 0.281 . . . . 0.0 111.32 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -73.59 -22.88 59.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.328 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.03 11.91 23.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.897 0.38 . . . . 0.0 111.044 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -110.42 103.38 53.98 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.004 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.24 -8.15 11.84 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.073 2.515 . . . . 0.0 112.719 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.24 140.51 30.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.985 0.422 . . . . 0.0 110.921 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.3 -12.17 34.28 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.952 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -92.9 118.38 31.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.144 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.5 19.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 -175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.689 ' HB3' HG22 ' A' ' 75' ' ' THR . 58.6 mtt-85 -100.75 119.89 39.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.391 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 30.3 m -84.79 141.05 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -126.43 135.56 51.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.844 -173.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.4 29.92 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.466 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.551 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -78.8 108.15 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.158 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 mt -149.1 152.64 36.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.95 170.04 19.84 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.57 2.18 . . . . 0.0 112.829 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.89 -22.81 63.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.237 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -62.34 -48.65 78.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.633 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -72.78 -29.37 63.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.859 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.563 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -66.4 -23.18 66.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.062 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -53.24 -48.05 68.52 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 123.498 0.499 . . . . 0.0 110.856 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.439 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -76.53 -27.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 -178.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.73 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.67 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -25.17 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.21 -34.61 32.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -77.53 -21.49 52.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.386 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 10.4 tt0 -59.2 -44.66 92.24 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.752 0.657 . . . . 0.0 110.778 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.74 62.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.699 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.4 -30.79 37.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.354 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 77' ' ' VAL . . . -79.38 -33.39 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.232 176.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -17.96 63.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.895 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' B' ' 95' ' ' LYS . 0.1 OUTLIER -73.14 -14.47 61.38 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.656 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -76.02 -25.4 55.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 110.815 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -97.49 -41.17 8.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.8 83.64 3.46 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.584 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -33.67 72.48 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.564 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm 62.69 88.6 0.09 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.992 0.808 . . . . 0.0 110.35 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' B' ' 101' ' ' ARG . 2.0 mmt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.632 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -123.25 157.97 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 159.81 30.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.765 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -96.73 168.73 10.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.561 176.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' HZ3' ' A' ' 59' ' ' TRP . 4.7 tp -111.05 160.82 16.5 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.806 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -99.92 167.13 10.71 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.81 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -47.98 75.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.443 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -77.01 -23.53 52.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.629 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.31 -40.68 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 110.25 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.61 -39.29 80.92 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.865 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -29.63 69.94 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.383 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.786 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . . . -75.66 -33.51 60.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.316 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 pt -106.1 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -48.04 70.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.93 -14.17 63.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.491 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.9 mm? -85.49 158.84 20.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.703 0.287 . . . . 0.0 110.569 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -109.26 91.62 3.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.0 109.706 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.13 142.5 37.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.901 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.26 143.49 44.56 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.342 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.57 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.58 0.352 . . . . 0.0 111.841 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -64.8 -50.87 65.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.492 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -66.32 -34.17 77.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.205 178.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.39 -35.46 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.854 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.41 -32.79 70.55 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.422 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 23' ' ' THR . 33.3 mt -71.83 -47.05 58.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.212 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' ' 30' ' ' VAL . . . -67.24 -19.87 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.712 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.67 -29.03 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 175.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.33 -45.29 1.72 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.829 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 27' ' ' ALA . 27.3 m -73.55 -24.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.24 0.52 . . . . 0.0 112.341 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD11 ' CE3' ' A' ' 59' ' ' TRP . 6.4 tp -107.43 -52.59 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 18.4 t -67.95 -50.09 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.78 -23.55 39.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 76.19 38.74 33.72 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.828 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -86.56 147.27 43.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.693 -0.253 . . . . 0.0 111.039 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -57.66 132.08 48.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.156 2.571 . . . . 0.0 112.936 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -73.47 -27.56 61.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.979 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HA ' ' HG3' ' A' ' 48' ' ' ARG . . . -65.36 -40.16 93.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -75.71 -39.06 58.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.762 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -33.33 75.39 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.222 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.673 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -61.45 -41.11 96.71 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.46 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -26.16 59.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.618 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -73.75 -44.26 56.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.693 0.282 . . . . 0.0 111.253 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -33.08 37.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.159 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.86 11.15 50.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.86 168.71 10.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 156.16 38.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -62.16 -37.97 87.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.005 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -25.62 72.98 Favored Glycine 0 C--N 1.335 0.482 0 O-C-N 123.62 0.575 . . . . 0.0 113.223 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.62 42.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.423 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 41' ' ' ALA . 54.9 t -72.4 -40.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.575 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.55 ' HA ' HG12 ' A' ' 55' ' ' VAL . 25.5 p -74.13 -17.49 60.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.29 -33.72 76.64 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.131 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -74.1 -45.1 51.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.821 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 52' ' ' SER . 8.1 p -66.0 -38.79 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -67.63 -41.57 83.7 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.521 177.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 1.4 tpt180 -62.2 -56.54 17.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -175.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.32 -40.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.011 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.492 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 44.1 t-105 -69.28 -31.51 70.06 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.36 92.48 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.648 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.21 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.42 -44.96 73.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.68 -27.84 64.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.92 0.39 . . . . 0.0 111.184 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -15.38 61.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 177.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.786 ' HE3' ' HA ' ' A' ' 13' ' ' ALA . 24.6 mttm -77.41 -23.38 50.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.28 22.98 14.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.365 0.602 . . . . 0.0 110.357 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -110.4 109.19 58.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.177 176.246 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.459 ' HB2' ' H ' ' A' ' 69' ' ' GLU . 2.3 Cg_endo -82.0 -112.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.495 2.797 . . . . 0.0 113.017 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' H ' ' HB2' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -90.58 128.25 36.53 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -176.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.81 25.8 15.91 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.681 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.568 ' HE2' ' HD3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -110.91 134.1 52.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.589 -0.306 . . . . 0.0 110.323 -177.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.13 160.58 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.861 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -84.79 105.31 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.0 m -93.35 138.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.283 0.563 . . . . 0.0 110.748 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 132.32 53.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.052 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.6 171.3 14.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG22 ' HD2' ' B' ' 73' ' ' ARG . 6.6 t -109.16 125.67 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 77' ' ' VAL . 3.2 mt -156.85 152.18 21.84 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 123.491 0.495 . . . . 0.0 109.735 -178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.531 ' HA ' ' HA ' ' B' ' 71' ' ' TYR . 37.4 Cg_exo -60.88 152.09 72.87 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.175 1.917 . . . . 0.0 111.53 173.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.462 ' H ' ' HG3' ' A' ' 80' ' ' GLU . 3.0 mt-10 -72.29 -19.33 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.09 -37.03 84.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.848 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -73.3 -36.5 66.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.415 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.09 -22.58 66.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -52.5 -45.5 66.22 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.224 0.61 . . . . 0.0 110.353 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -33.84 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.575 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 92.9 t -66.41 -31.7 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.243 -178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.71 0.291 . . . . 0.0 111.146 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 88' ' ' LYS . 25.0 mmmt -78.34 -34.17 48.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.128 176.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -69.88 -33.45 72.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.968 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -33.85 75.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.738 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.71 83.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.607 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -20.86 43.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.217 173.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -75.73 -27.22 58.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.335 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 98' ' ' GLU . 0.6 OUTLIER -71.77 -23.58 61.61 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.16 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.568 ' HD3' ' HE2' ' A' ' 71' ' ' TYR . 34.2 tttp -70.46 -25.15 63.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.272 0.558 . . . . 0.0 110.256 174.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.11 10.28 35.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.214 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.616 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -102.09 155.94 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.86 84.57 4.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -58.14 120.55 8.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.047 -173.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 101' ' ' ARG . 10.5 mmm-85 . . . . . 0 C--O 1.245 0.863 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.421 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.667 0.27 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' B' ' 3' ' ' LYS . 0.1 OUTLIER -78.74 -96.74 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.952 174.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' B' ' 2' ' ' LYS . 0.2 OUTLIER -166.75 165.18 16.52 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.692 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.1 mtp-105 -96.95 174.23 6.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 168.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' B' ' 5' ' ' LEU . 6.2 tp -131.61 146.47 52.22 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.724 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 157.0 27.8 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.511 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 2.6 mt-10 -63.54 -23.24 67.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -49.46 68.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.746 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -77.82 -26.14 49.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 46.4 t80 -65.51 -47.72 75.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.208 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -70.03 -27.88 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.634 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -34.24 77.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.978 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.33 73.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.544 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pt -95.25 5.21 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.766 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.57 91.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.371 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.72 18.5 31.94 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -121.11 130.33 53.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.719 0.295 . . . . 0.0 110.464 -179.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.493 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.0 OUTLIER -92.0 84.61 5.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 110.206 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.79 152.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.806 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.1 141.86 43.92 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.247 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HA ' HD12 ' B' ' 24' ' ' ILE . 8.9 mm-40 -62.02 -25.59 67.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.854 0.462 . . . . 0.0 112.191 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -44.68 89.74 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 123.014 0.196 . . . . 0.0 110.667 177.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.585 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.81 -35.15 78.11 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.947 0.403 . . . . 0.0 111.038 177.14 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 21' ' ' GLN . 85.8 mt -65.38 -41.96 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.475 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -26.29 65.47 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.778 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' B' ' 23' ' ' THR . 46.1 mt -71.54 -46.36 63.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 109.739 175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.58 -19.74 65.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.464 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.572 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.3 mtp180 -61.15 -28.62 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.823 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.18 -48.57 1.43 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.834 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 m -77.22 -22.3 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 117.536 0.668 . . . . 0.0 112.702 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' B' ' 59' ' ' TRP . 0.4 OUTLIER -106.4 -50.2 3.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.73 0.3 . . . . 0.0 111.066 -177.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 79.1 t -71.18 -53.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.946 0.403 . . . . 0.0 111.337 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -81.82 -16.98 49.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.692 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 70.13 42.04 68.43 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.84 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -85.74 146.84 44.67 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.18 . . . . 0.0 110.728 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.59 132.68 47.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.96 -25.09 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.539 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.92 77.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.474 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -37.08 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.453 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.404 ' HE2' ' HA ' ' B' ' 26' ' ' ILE . 0.8 OUTLIER -66.33 -38.94 88.83 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.291 -176.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.625 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -64.02 -51.91 61.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.406 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -23.63 60.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 72.7 m -76.2 -36.31 58.69 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.402 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.76 -5.44 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.55 -177.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 23.28 68.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.497 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.99 167.8 11.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.909 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.04 154.99 35.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -69.23 -39.02 78.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.851 0.358 . . . . 0.0 110.341 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.52 -26.55 72.94 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.568 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.7 58.51 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.718 0.294 . . . . 0.0 111.352 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.625 HG21 ' HA ' ' B' ' 41' ' ' ALA . 41.1 t -69.29 -40.27 80.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.271 0.558 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.4 m -73.22 -19.62 61.05 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.563 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -33.54 69.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.587 0.232 . . . . 0.0 110.86 175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -43.53 70.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.339 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.25 -35.0 73.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -50.29 66.21 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.487 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -52.08 48.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.49 -43.73 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 123.249 0.343 . . . . 0.0 111.196 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.435 ' HB2' HD11 ' B' ' 31' ' ' LEU . 42.8 t-105 -64.09 -45.37 89.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.517 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.18 79.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.585 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.81 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.199 0.312 . . . . 0.0 110.977 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -72.84 -43.34 62.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.069 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.61 -35.23 70.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.407 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.29 -34.95 75.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 177.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -68.82 -35.16 76.64 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.523 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -29.79 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.2 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' B' ' 68' ' ' PRO . 0.0 OUTLIER -78.5 112.47 26.67 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.555 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 67' ' ' LEU . 3.8 Cg_exo -76.85 -76.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.896 2.397 . . . . 0.0 112.037 -177.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' HB2' ' B' ' 71' ' ' TYR . 2.5 tp10 -102.32 125.83 49.15 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.756 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.71 48.18 0.96 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 5.5 m-85 -116.21 152.05 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.226 -172.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.27 163.74 38.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.193 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.481 ' HD2' HG22 ' A' ' 77' ' ' VAL . 2.0 mmm180 -96.57 104.76 16.77 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 171.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 83' ' ' ALA . 34.5 m -96.1 134.59 33.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.438 0.637 . . . . 0.0 112.001 -169.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.66 114.49 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.157 177.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.58 146.01 50.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.972 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -78.1 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.214 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.82 148.66 17.32 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.579 0.228 . . . . 0.0 110.642 -177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' B' ' 82' ' ' GLN . 28.5 Cg_endo -65.57 147.2 86.24 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.004 1.803 . . . . 0.0 110.78 169.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -35.62 70.05 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -42.41 80.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.554 ' HB2' ' HG2' ' B' ' 79' ' ' PRO . 0.0 OUTLIER -72.7 -29.52 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 177.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.46 66.62 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.002 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -53.07 -42.72 66.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.094 0.474 . . . . 0.0 110.396 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.424 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.3 OUTLIER -80.47 -28.72 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.958 -178.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.17 -32.69 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.964 0.411 . . . . 0.0 110.192 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -33.97 77.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.74 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -28.42 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.57 ' HA ' ' HB2' ' B' ' 92' ' ' ASP . 12.4 m95 -81.59 -19.95 40.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.35 -42.94 95.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.645 0.736 . . . . 0.0 109.283 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.58 -23.15 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.948 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.57 ' HB2' ' HA ' ' B' ' 89' ' ' TRP . 1.2 t0 -70.69 -37.77 73.63 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.859 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.435 ' HB1' ' HE2' ' B' ' 71' ' ' TYR . . . -65.49 -40.97 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 110.464 176.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -76.98 -16.36 59.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.296 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -70.21 -27.76 64.74 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.497 0.319 . . . . 0.0 110.938 178.43 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -20.58 61.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.616 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.06 -2.1 30.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.454 177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 95' ' ' LYS . 0.0 OUTLIER -89.25 150.83 22.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -178.069 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.97 85.34 3.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.448 0.642 . . . . 0.0 110.668 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 144.17 31.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.416 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.348 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' HG3' ' OE1' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -86.31 111.22 20.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 110.702 -177.275 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -171.23 154.66 4.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.662 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -86.59 133.68 33.7 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 121.0 0.428 . . . . 0.0 110.864 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 tp -117.15 165.23 13.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.455 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.74 162.73 13.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.924 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HG3' HG11 ' A' ' 32' ' ' VAL . 4.3 mt-10 -67.07 -36.6 82.38 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 111.099 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.1 75.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.141 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -77.91 -31.43 51.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.471 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -66.01 -47.55 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.132 175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -32.4 72.66 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.81 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.35 -39.45 93.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -72.5 -45.22 60.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.756 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.99 3.86 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -58.63 6.09 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.07 16.47 20.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.239 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.6 mm? -92.93 121.41 34.25 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.23 84.58 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.341 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.03 29.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.242 177.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 146.12 43.88 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.897 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.22 -18.14 65.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.58 -44.5 74.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.297 . . . . 0.0 110.326 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.644 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -73.2 -35.2 66.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.02 0.438 . . . . 0.0 110.383 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.5 -36.37 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.743 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -34.49 77.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 23' ' ' THR . 34.6 mt -67.02 -50.77 61.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -67.52 -37.88 83.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 177.632 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -95.01 -31.76 7.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.05 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.799 HG11 HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -76.51 -43.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -176.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 92.2 mt -94.67 -55.87 2.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.408 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.473 HG11 ' HG3' ' A' ' 7' ' ' GLU . 4.9 t -69.67 -46.07 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -173.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 28.2 t0 -79.8 -21.15 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.209 0.528 . . . . 0.0 109.881 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 86.17 51.05 3.66 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.995 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -103.73 133.97 19.98 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 120.411 0.148 . . . . 0.0 110.721 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 5.7 Cg_exo -76.2 57.1 5.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.649 2.9 . . . . 0.0 114.771 -175.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' A' ' 2' ' ' LYS . 2.3 mp0 62.21 -83.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 168.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -27.58 69.4 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -169.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -37.81 82.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.092 0.472 . . . . 0.0 110.645 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 1.6 t80 -69.91 -32.74 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.57 73.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.399 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.62 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 m -68.81 -44.24 73.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mp -90.95 -15.08 30.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 30.38 25.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.824 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.7 mt -108.16 163.43 13.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.85 155.95 32.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.411 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -66.05 -37.37 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.24 -34.64 69.5 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.811 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.14 75.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.622 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.523 ' HA ' HD13 ' A' ' 26' ' ' ILE . 22.8 t -62.12 -49.55 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.906 175.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 m -66.58 -26.09 66.95 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.677 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -33.55 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.83 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.593 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.5 -42.33 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 178.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.799 HG22 HG11 ' A' ' 30' ' ' VAL . 2.0 t -60.79 -43.27 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -65.27 -45.08 85.96 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -52.73 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.52 -39.24 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 3' ' ' LYS . 17.6 t-105 -67.91 -38.43 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.598 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.04 89.62 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.708 0.289 . . . . 0.0 110.992 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -68.49 -37.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.688 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -65.42 -51.13 62.4 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.389 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -38.79 75.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.969 -174.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.33 -39.81 64.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -73.4 -10.5 59.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.529 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -83.86 -7.9 59.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.255 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.83 94.45 37.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -81.75 -16.46 9.0 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.281 2.654 . . . . 0.0 113.664 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -131.51 110.09 10.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.645 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -117.56 24.22 9.2 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.425 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -92.33 161.54 14.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.465 -0.367 . . . . 0.0 110.776 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.6 166.88 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.528 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 76' ' ' ALA . 40.1 ttp85 -101.52 115.93 31.62 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.456 HG12 ' HB2' ' B' ' 83' ' ' ALA . 35.5 m -90.13 106.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 122.373 1.082 . . . . 0.0 111.204 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -113.32 113.76 25.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.627 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.26 170.17 19.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.706 HG11 HE22 ' B' ' 97' ' ' GLN . 0.4 OUTLIER -91.11 136.2 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.773 176.669 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.543 ' HG ' ' HD2' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -157.1 147.55 16.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.847 -178.036 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.543 ' HD2' ' HG ' ' A' ' 78' ' ' LEU . 52.5 Cg_exo -55.74 132.97 55.27 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.267 1.978 . . . . 0.0 111.319 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -64.41 -22.83 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.21 -46.35 74.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.726 0.298 . . . . 0.0 110.68 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -71.94 -34.84 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.333 174.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB1' HG11 ' B' ' 74' ' ' VAL . . . -68.04 -22.68 64.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.278 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -53.42 -47.08 69.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.204 0.526 . . . . 0.0 110.302 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.814 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' GLN . 60.0 t -70.24 -31.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.281 177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -67.17 -27.67 67.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -33.07 35.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 109.924 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -70.9 -18.74 62.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.927 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' CG ' ' HA ' ' B' ' 76' ' ' ALA . 0.5 OUTLIER -62.84 -50.45 70.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.597 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.88 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.983 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 11.6 t0 -78.89 -40.72 31.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.675 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.52 -35.44 73.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.926 0.394 . . . . 0.0 110.672 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.0 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.548 175.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER -72.81 -23.1 60.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.287 179.051 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -76.46 -21.35 56.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 4.3 mt-30 -113.54 -2.38 13.87 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.649 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.6 42.02 24.73 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.8 0.84 . . . . 0.0 111.699 -175.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -93.61 54.55 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.353 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.8 139.0 17.44 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.691 172.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.798 -176.287 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.443 ' HG2' HG12 ' B' ' 55' ' ' VAL . 4.6 ttp . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.578 0.228 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.18 106.61 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.349 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.411 ' HB3' ' CH2' ' B' ' 59' ' ' TRP . 3.6 tttt -162.15 164.38 27.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.163 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 31' ' ' LEU . 1.8 ttt180 -86.47 131.62 34.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.597 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 11.4 tp -125.9 152.89 44.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.387 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 155.99 18.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.33 -22.86 67.09 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.35 86.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.109 0.481 . . . . 0.0 110.717 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -78.34 -28.54 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.918 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -63.81 -47.14 82.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.73 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -35.02 79.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.272 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -65.19 -35.72 81.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.044 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.16 -41.53 57.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.209 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -90.99 -5.5 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -61.14 2.5 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.84 25.58 24.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.642 -177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.501 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.6 OUTLIER -113.13 126.51 55.53 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.899 0.381 . . . . 0.0 110.373 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.37 84.12 6.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.478 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.49 146.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.561 -177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 152.3 51.25 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.301 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.58 -17.39 64.8 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.672 0.272 . . . . 0.0 110.326 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.689 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -64.51 -40.71 96.14 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.257 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' B' ' 21' ' ' GLN . 30.8 mt -69.97 -34.45 59.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.768 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -38.19 65.98 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.568 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.543 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 60.6 mt -66.56 -50.11 69.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.484 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.23 -25.44 68.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.842 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -72.27 -38.07 68.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.04 178.332 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 -0.58 57.43 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.471 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.627 HG11 HG22 ' B' ' 55' ' ' VAL . 1.4 t -112.52 -48.64 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.828 HD21 HG13 ' B' ' 55' ' ' VAL . 63.1 mt -89.05 -52.67 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.079 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 23.8 t -67.51 -40.79 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.009 0.433 . . . . 0.0 111.331 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.43 -28.12 52.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.302 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.584 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 82.09 51.11 4.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.284 -0.96 . . . . 0.0 111.884 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 142.35 33.06 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.749 -0.225 . . . . 0.0 110.714 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.93 154.32 73.77 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.501 2.134 . . . . 0.0 112.366 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.66 -29.75 69.12 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.204 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.46 92.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.209 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.01 -31.68 72.72 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.394 0.434 . . . . 0.0 111.694 -174.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.5 78.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.973 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -37.07 60.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.902 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -55.8 11.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 0.0 111.811 -176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -88.61 -10.5 48.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.125 -174.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.0 41.04 19.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.82 167.75 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.812 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.98 156.5 18.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.568 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -39.23 85.7 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.082 0.239 . . . . 0.0 111.609 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.39 -28.71 73.89 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.936 -0.574 . . . . 0.0 113.145 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.76 32.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.812 0.306 . . . . 0.0 111.167 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.45 ' O ' HG23 ' B' ' 55' ' ' VAL . 59.7 t -63.57 -49.5 82.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.366 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -71.67 -18.22 62.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.896 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -35.2 74.09 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.429 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.689 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -72.67 -38.34 67.63 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.828 HG13 HD21 ' B' ' 31' ' ' LEU . 21.2 t -60.59 -43.37 94.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.873 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.34 -51.15 62.51 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.576 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -49.52 74.09 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -170.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.06 -40.86 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.021 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.475 ' HE3' HD13 ' B' ' 31' ' ' LEU . 9.7 t-105 -68.97 -40.07 79.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.458 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.73 70.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.124 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.01 97.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.827 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -75.15 -33.07 61.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.21 -31.01 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 176.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.98 -35.68 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -10.32 59.67 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.996 176.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.38 -7.01 59.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.529 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.0 90.47 41.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.805 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.3 -38.16 2.17 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.935 2.423 . . . . 0.0 112.903 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.94 152.77 42.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.202 -176.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.64 29.43 0.44 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.128 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.18 152.76 29.31 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.92 13.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -89.71 105.91 18.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 170.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.653 HG11 ' HB1' ' A' ' 83' ' ' ALA . 4.5 m -88.2 140.63 15.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.568 -171.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -102.87 114.59 29.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.462 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.556 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . . . -128.75 169.01 15.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.485 ' H ' ' HG2' ' A' ' 90' ' ' GLU . 53.4 t -122.57 124.59 71.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 172.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.511 HD22 ' HG2' ' B' ' 82' ' ' GLN . 0.2 OUTLIER -158.94 155.52 24.69 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.005 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.45 ' HD2' HD23 ' B' ' 78' ' ' LEU . 51.3 Cg_exo -54.63 153.8 22.53 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.488 2.125 . . . . 0.0 112.653 177.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -18.46 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.385 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -62.54 -37.76 87.37 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.944 0.402 . . . . 0.0 110.539 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.511 ' HG2' HD22 ' B' ' 78' ' ' LEU . 19.7 tp60 -71.74 -39.93 69.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.6 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.41 -22.78 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.562 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.35 -49.56 64.08 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 123.469 0.48 . . . . 0.0 110.19 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.06 -32.66 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.348 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 93.5 t -64.92 -34.5 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -176.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 87' ' ' ARG . 4.8 ttm105 -67.43 -29.14 68.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -76.92 -30.43 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.274 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -79.37 -24.53 42.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.004 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.577 ' HG2' HG23 ' A' ' 77' ' ' VAL . 1.7 tt0 -64.75 -46.95 80.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.461 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.78 64.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.786 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -67.82 -49.87 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.736 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.6 67.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.264 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -34.99 78.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -14.11 55.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -22.02 44.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.071 0.462 . . . . 0.0 110.647 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.706 HE22 HG11 ' A' ' 77' ' ' VAL . 34.2 mt-30 -96.56 -44.38 7.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.571 174.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 57.94 42.08 23.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.383 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -6.59 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.226 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 144.12 27.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.913 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.901 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.416 0.627 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 36' ' ' PRO . 46.9 mttp -151.24 179.85 7.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.424 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.657 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 42.6 mmtm -83.93 75.42 10.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.467 0.651 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 5.0 ttm180 -86.2 133.92 33.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.027 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.707 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.1 tp -121.69 134.6 54.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.94 153.99 28.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.517 -177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -51.58 -46.49 63.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -67.22 -38.7 85.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.044 0.449 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CE1' HG11 ' A' ' 58' ' ' VAL . 83.6 t80 -57.92 -41.57 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.954 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -66.38 -42.53 87.79 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.15 -41.72 98.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.474 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -61.05 -49.57 76.83 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.927 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.1 pt -79.82 -26.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -59.09 -26.71 64.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.1 0.476 . . . . 0.0 111.946 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -93.75 3.77 71.44 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.004 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -121.14 158.24 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.312 0.577 . . . . 0.0 111.87 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 85.23 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.223 -0.898 . . . . 0.0 109.748 174.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.88 141.33 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.394 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.03 174.43 49.24 Favored Glycine 0 N--CA 1.438 -1.203 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.361 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.54 -36.93 81.96 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.067 -0.567 . . . . 0.0 111.968 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' HG13 ' A' ' 26' ' ' ILE . 37.2 mt-30 -58.8 -51.08 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.767 HG23 ' HA ' ' A' ' 54' ' ' ALA . 42.1 m -59.2 -39.53 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.633 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.17 -51.04 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.83 -31.81 72.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.458 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 88.0 mt -66.59 -49.15 77.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.615 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.431 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.691 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 24.5 ttm-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.216 0.532 . . . . 0.0 110.151 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.98 -46.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.081 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 55' ' ' VAL . 2.6 t -61.97 -41.45 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 C-N-CA 123.224 0.61 . . . . 0.0 111.825 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.615 HD12 ' HB1' ' A' ' 27' ' ' ALA . 73.4 mt -98.34 -54.25 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 41.7 t -67.33 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -172.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.23 -10.52 44.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.524 0.678 . . . . 0.0 109.949 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.474 ' N ' ' HG3' ' A' ' 4' ' ' ARG . . . 68.26 28.37 73.34 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.878 -177.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.719 ' HD3' ' HD1' ' A' ' 40' ' ' PHE . 37.8 tttp -76.87 133.94 69.13 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 114.756 -0.722 . . . . 0.0 110.63 -172.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 75.8 Cg_exo -50.35 127.08 19.18 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 123.133 2.555 . . . . 0.0 112.419 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.1 -37.57 85.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.194 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.8 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.317 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 p -66.33 -24.55 66.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.718 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.719 ' HD1' ' HD3' ' A' ' 35' ' ' LYS . 12.9 t80 -70.99 -51.49 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -53.35 -49.71 66.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.348 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -61.94 -32.05 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.81 0.338 . . . . 0.0 111.491 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.449 ' HB3' HD22 ' A' ' 44' ' ' LEU . 20.6 t -79.37 -44.55 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 111.023 -176.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 43' ' ' SER . 3.0 mm? -94.01 -4.26 49.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.845 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.4 38.18 34.16 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.761 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 27.6 mt -96.39 163.73 12.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.452 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -89.28 156.51 18.7 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.637 ' H ' ' HD2' ' A' ' 48' ' ' ARG . 3.4 mpt_? -62.99 -39.05 93.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.11 0.481 . . . . 0.0 109.826 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.11 -40.65 98.29 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.77 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.48 93.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.882 0.341 . . . . 0.0 111.067 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' ' 41' ' ' ALA . 45.5 t -66.39 -45.51 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.345 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 55' ' ' VAL . 41.2 m -62.87 -30.05 71.22 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.762 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 22.7 tt0 -67.89 -46.78 70.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.32 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.767 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -64.5 -43.66 93.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.554 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.587 HG23 HD21 ' A' ' 31' ' ' LEU . 6.2 p -66.83 -45.17 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 0.0 110.238 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -66.56 -46.03 77.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -58.31 -57.86 11.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -173.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG11 ' CE1' ' A' ' 10' ' ' PHE . 77.0 t -64.63 -43.76 96.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.747 -176.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CZ2' ' HD2' ' A' ' 3' ' ' LYS . 60.0 t-105 -64.5 -44.93 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.523 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -38.66 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.09 93.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.537 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.4 -47.87 83.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.181 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.73 -35.37 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.717 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.43 -41.55 84.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.67 -21.88 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -74.05 -27.38 60.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp 65.33 96.45 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.654 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.38 165.71 30.77 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.962 2.442 . . . . 0.0 111.457 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 69' ' ' GLU . 5.5 tp10 -103.13 112.59 25.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.035 0.445 . . . . 0.0 110.532 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -104.25 1.01 43.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.457 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -127.93 172.35 10.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.316 0.558 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.36 160.96 39.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.625 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -121.41 131.7 54.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.113 0.482 . . . . 0.0 110.0 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.631 HG12 ' HB2' ' B' ' 83' ' ' ALA . 33.4 m -97.66 148.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -135.94 133.17 37.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.766 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' HB2' ' CG1' ' B' ' 86' ' ' VAL . . . -148.87 153.94 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.342 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.648 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 50.3 t -79.31 122.32 34.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 171.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 mt -151.26 153.69 32.9 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.02 139.74 60.8 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.626 2.217 . . . . 0.0 112.058 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.82 -29.97 65.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.192 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -71.56 -24.41 61.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.1 mm-40 -71.52 -27.95 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.278 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.588 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.19 -24.87 65.12 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.74 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -56.4 -47.2 79.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.507 0.67 . . . . 0.0 109.991 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' H ' HG13 ' A' ' 85' ' ' ILE . 2.4 mt -83.58 -28.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.938 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 72.0 t -61.92 -43.27 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.659 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 87' ' ' ARG . 38.3 ttp180 -63.18 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -62.33 -50.99 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.272 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -61.58 -39.56 91.62 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.738 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.777 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.1 tt0 -55.54 -48.06 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.256 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.82 44.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.76 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -70.67 -42.48 70.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.196 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.483 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.44 -43.11 91.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.386 . . . . 0.0 110.845 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -66.65 -23.41 66.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.114 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -73.3 -8.99 58.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.916 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -78.93 -18.35 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.436 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -91.17 -39.3 12.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.493 0.663 . . . . 0.0 109.786 175.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.82 -179.48 7.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.194 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 m -141.82 118.57 11.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.885 0.85 . . . . 0.0 112.271 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -98.14 161.19 13.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.194 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.995 176.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 mttp 59.28 -165.51 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.714 0.634 . . . . 0.0 111.006 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -121.83 104.29 9.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.942 0.401 . . . . 0.0 111.243 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.505 ' HG3' ' CA ' ' B' ' 34' ' ' GLY . 12.6 ttm180 -105.05 137.05 43.4 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.893 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 30.4 tp -128.61 156.04 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.25 154.12 19.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 31.7 tt0 -61.79 -19.72 62.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.673 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.8 p -68.25 -54.28 18.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.504 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -71.02 -28.63 64.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.13 0.491 . . . . 0.0 110.386 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 84.6 t80 -59.21 -41.25 88.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.264 177.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -71.71 -37.89 70.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.14 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.24 -39.4 90.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.967 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.12 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.044 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 45.1 pt -75.29 -16.49 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.86 -28.22 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 111.387 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . 0.422 ' C ' HD22 ' B' ' 17' ' ' LEU . . . -89.04 2.49 84.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.39 -177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.422 HD22 ' C ' ' B' ' 16' ' ' GLY . 3.6 mm? -123.39 144.73 49.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.636 0.255 . . . . 0.0 110.966 -177.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -92.79 82.76 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.252 1.025 . . . . 0.0 109.67 170.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.621 HG23 HD11 ' B' ' 24' ' ' ILE . 6.4 m -114.74 135.48 54.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.204 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 171.62 55.16 Favored Glycine 0 N--CA 1.433 -1.544 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.699 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -60.36 -27.04 67.08 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.859 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.1 -40.89 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.466 HG23 ' HA ' ' B' ' 54' ' ' ALA . 25.7 m -79.99 -38.34 32.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.323 0.582 . . . . 0.0 110.33 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.621 HD11 HG23 ' B' ' 19' ' ' VAL . 59.0 mt -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.862 -174.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.13 -34.25 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.604 ' HA ' ' CE2' ' B' ' 40' ' ' PHE . 57.5 mt -72.15 -49.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.58 -29.44 70.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.091 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.473 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 49.7 ttm-85 -59.83 -29.42 68.25 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.899 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.8 -46.97 0.99 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.984 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.14 -43.44 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 C-N-CA 123.007 0.523 . . . . 0.0 111.715 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.672 HD21 HG23 ' B' ' 55' ' ' VAL . 69.9 mt -92.91 -60.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.489 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 26.1 t -63.38 -43.66 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.876 -173.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.5 -7.87 49.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 109.93 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' B' ' 4' ' ' ARG . . . 63.48 28.02 71.77 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.044 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -75.53 139.18 70.87 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.565 -0.318 . . . . 0.0 111.42 -175.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' OG1' ' B' ' 39' ' ' THR . 50.3 Cg_exo -53.84 129.92 36.56 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.35 2.7 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -65.49 -39.97 92.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.903 -1.044 . . . . 0.0 112.208 -170.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.82 94.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.953 0.406 . . . . 0.0 111.355 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 1.3 p -74.61 -23.08 58.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.279 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 10.0 t80 -71.08 -50.65 31.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.833 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -51.18 -54.08 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.52 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.2 m -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.033 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -80.82 -38.75 27.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -99.75 3.48 44.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.34 34.58 50.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.809 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.833 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 25.0 mt -95.35 164.08 12.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.988 0.423 . . . . 0.0 110.352 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.2 p -98.21 166.31 11.46 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.725 ' HD2' ' H ' ' B' ' 48' ' ' ARG . 1.1 mpt_? -67.71 -37.31 82.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.0 -43.28 82.67 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.4 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.17 -46.05 91.03 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.707 0.254 . . . . 0.0 111.126 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.723 HG21 ' HB2' ' B' ' 41' ' ' ALA . 95.4 t -60.62 -45.56 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 110.557 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.4 m -66.3 -33.59 76.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.981 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.21 -45.38 73.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.857 0.36 . . . . 0.0 110.637 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.466 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -63.95 -45.12 90.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.443 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.672 HG23 HD21 ' B' ' 31' ' ' LEU . 7.3 p -67.77 -38.54 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.43 -50.6 64.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.006 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.19 -51.86 61.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.766 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.07 -46.05 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.747 0.308 . . . . 0.0 111.254 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.893 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 61.5 t-105 -65.35 -38.4 89.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.245 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.24 75.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.86 92.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.064 0.459 . . . . 0.0 110.204 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.19 -44.17 76.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.917 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' B' ' 66' ' ' ASN . 11.9 tp10 -59.73 -42.72 93.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.328 -177.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.696 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -84.99 2.5 42.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.556 0.693 . . . . 0.0 110.473 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.54 ' HB3' ' O ' ' B' ' 63' ' ' GLU . 9.7 t30 -84.18 -34.91 23.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.657 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp 54.77 74.08 0.79 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.648 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.92 146.66 53.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.781 2.32 . . . . 0.0 111.071 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -71.27 94.82 1.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.923 0.392 . . . . 0.0 110.056 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.52 11.53 67.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.447 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -141.64 166.82 23.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.933 0.366 . . . . 0.0 110.589 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.04 148.02 32.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 10.1 ptp180 -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.868 0.365 . . . . 0.0 110.258 177.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 27.7 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.176 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.4 m -123.22 135.53 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.716 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.508 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . . . -140.33 146.23 38.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.375 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.777 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 67.0 t -78.67 110.97 14.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.517 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -150.74 146.17 19.18 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.04 152.72 49.66 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 0.0 112.275 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.45 -27.43 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.124 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.18 -28.05 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.481 ' O ' HG23 ' B' ' 86' ' ' VAL . 84.4 mm-40 -72.1 -34.25 68.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.176 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.631 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -59.92 -23.38 63.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -176.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.46 -48.38 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.404 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.8 mt -84.61 -35.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.471 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 97.7 t -57.87 -42.58 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.87 -35.09 77.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.421 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -71.14 -43.68 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.644 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -65.68 -31.64 72.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 42.9 tt0 -60.53 -42.06 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.113 0.482 . . . . 0.0 110.129 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.0 -30.4 55.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.575 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.464 ' HA ' ' HE3' ' B' ' 95' ' ' LYS . 28.0 t70 -65.67 -37.58 86.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.03 96.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 110.742 177.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -75.98 -26.37 56.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.091 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' B' ' 92' ' ' ASP . 27.4 ttpp -74.02 -14.65 61.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.571 0.7 . . . . 0.0 110.007 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -81.23 -18.22 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.014 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.52 -48.36 6.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.348 174.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.43 98.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.12 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 3.8 m -74.59 84.94 2.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.709 0.766 . . . . 0.0 110.011 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 174.27 6.43 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.82 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.756 -179.515 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -96.18 127.0 41.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -98.37 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.53 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.795 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -108.99 166.52 10.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.171 0.51 . . . . 0.0 110.456 178.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 3.5 tp -121.35 145.68 47.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.096 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 8.3 mt-10 -64.14 -22.14 66.82 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -49.12 73.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -78.72 -23.89 45.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.748 179.291 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 7' ' ' GLU . 65.0 t80 -63.14 -42.03 99.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.674 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -31.93 72.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.387 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.52 -38.63 90.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.698 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.65 77.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.578 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.45 2.83 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.32 -37.05 84.48 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.722 0.296 . . . . 0.0 110.945 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.22 26.57 19.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.195 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -133.91 140.98 47.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.406 -179.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.61 85.35 2.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 171.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.91 173.42 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.788 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 135.72 45.95 Favored Glycine 0 C--N 1.315 -0.595 0 CA-C-N 114.418 -1.264 . . . . 0.0 112.311 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -71.74 -18.14 62.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.295 . . . . 0.0 111.513 -176.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -43.95 93.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 176.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -65.56 -35.6 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.813 177.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 21' ' ' GLN . 70.4 mt -68.27 -36.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.329 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.2 -37.32 85.29 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.474 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.676 HG21 ' HA ' ' A' ' 51' ' ' VAL . 21.5 mt -71.6 -49.44 46.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.767 0.318 . . . . 0.0 110.37 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -21.03 66.14 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.966 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.14 -29.01 69.81 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 177.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 -26.32 5.55 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.292 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -86.3 -40.71 14.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.877 0.37 . . . . 0.0 111.061 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.421 HD12 HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -94.68 -45.77 7.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.178 -177.102 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 55.2 t -74.35 -56.22 9.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 111.611 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.3 -28.59 61.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.463 0.649 . . . . 0.0 109.741 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.795 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 77.55 43.57 15.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.146 -0.933 . . . . 0.0 112.022 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -90.1 144.42 31.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.189 . . . . 0.0 110.73 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 53.1 Cg_exo -55.79 130.77 42.16 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.126 2.55 . . . . 0.0 112.441 177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.05 -30.85 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.098 -171.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.37 66.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.007 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -68.27 -34.15 75.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.645 -178.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.54 -38.38 90.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 110.633 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.57 85.4 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.428 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -30.2 64.91 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 -41.73 34.42 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.663 0.245 . . . . 0.0 111.663 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HB3' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -91.88 -7.62 48.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.77 19.72 62.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.118 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -93.82 161.21 14.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -177.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 p -83.6 157.78 22.15 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -33.26 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.57 73.72 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.708 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.99 -40.46 27.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.676 ' HA ' HG21 ' A' ' 26' ' ' ILE . 97.5 t -68.87 -40.46 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.98 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.477 ' HA ' HG12 ' A' ' 55' ' ' VAL . 14.7 m -74.21 -19.82 60.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.229 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -69.93 -39.02 76.38 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.12 -45.96 79.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.722 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 11.0 p -67.15 -36.58 77.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.162 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -66.15 -44.41 84.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.755 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.36 -57.31 5.46 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -171.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.38 -37.38 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.32 . . . . 0.0 111.283 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -61.41 -44.35 97.3 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.949 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.62 70.63 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.629 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.16 95.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.916 0.388 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.05 -32.35 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.803 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -45.4 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.63 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 5.4 t70 -71.78 -28.78 63.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.643 0.259 . . . . 0.0 110.885 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 175.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -10.34 59.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.337 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.28 105.07 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 124.481 1.112 . . . . 0.0 112.103 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.63 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 1.2 Cg_endo -84.22 64.48 6.94 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.466 2.777 . . . . 0.0 110.846 175.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.81 136.05 41.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.343 -173.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' B' ' 79' ' ' PRO . . . -157.8 44.92 0.49 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.222 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -69.54 118.7 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.487 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.69 166.86 23.48 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.048 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 105.89 11.44 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.55 HG11 ' HB2' ' B' ' 83' ' ' ALA . 29.9 m -106.48 129.55 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.712 0.768 . . . . 0.0 112.106 -173.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -105.13 132.26 51.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.04 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.55 158.78 44.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.759 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 20.4 t -86.04 122.14 38.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.96 146.43 18.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' B' ' 93' ' ' ALA . 34.0 Cg_exo -60.95 148.78 91.61 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.637 2.224 . . . . 0.0 112.134 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -65.03 -32.54 74.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.527 -176.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.46 -41.39 98.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -73.53 -29.95 62.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.674 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -66.82 -21.55 66.03 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.666 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -52.29 -44.14 64.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.123 0.487 . . . . 0.0 110.49 173.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.428 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -80.36 -36.18 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.19 -37.83 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.378 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -30.84 71.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.983 0.42 . . . . 0.0 110.856 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -26.99 49.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.419 177.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -79.46 -17.66 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.474 ' HG2' ' HB1' ' B' ' 76' ' ' ALA . 38.2 mt-10 -58.74 -40.99 85.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.179 0.514 . . . . 0.0 110.772 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -23.07 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.98 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -25.98 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.39 -35.69 71.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.212 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -75.94 -19.26 58.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.815 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -71.07 -17.29 62.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.263 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -72.44 -30.31 64.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.171 0.51 . . . . 0.0 110.311 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.94 -26.46 23.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.851 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . 1.7 mt-10 -74.28 169.87 16.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.0 110.42 14.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.185 -173.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.77 85.22 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.062 172.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.233 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 121.045 0.45 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -99.33 157.36 16.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.233 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -129.14 152.85 48.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.216 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.513 ' HG2' ' CA ' ' B' ' 34' ' ' GLY . 2.4 mtp180 -106.43 179.29 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 5' ' ' LEU . 6.2 tp -135.89 149.64 49.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.047 178.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.79 159.17 25.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.9 -38.39 72.75 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -40.2 83.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.135 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.04 -26.92 48.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.993 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.49 -45.04 89.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -69.83 -26.87 64.44 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.935 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -33.51 73.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.86 -47.51 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.26 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.561 ' HA ' ' HB2' ' B' ' 17' ' ' LEU . 2.5 pt -84.29 6.62 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -49.85 27.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.944 0.898 . . . . 0.0 112.723 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.43 19.9 23.72 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.191 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' B' ' 14' ' ' ILE . 0.3 OUTLIER -94.75 99.41 11.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.167 0.508 . . . . 0.0 111.184 -177.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.05 84.15 4.44 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.005 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 m -129.14 178.75 4.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.914 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.32 132.35 35.77 Favored Glycine 0 C--N 1.312 -0.795 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.415 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.834 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.2 tt0 -67.61 -17.56 64.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -58.91 -43.04 91.0 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.849 0.295 . . . . 0.0 110.774 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.681 HG22 ' HA ' ' B' ' 54' ' ' ALA . 0.3 OUTLIER -60.55 -40.1 90.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.136 0.493 . . . . 0.0 111.129 175.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' B' ' 21' ' ' GLN . 17.5 mt -69.95 -34.25 59.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.294 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 80.9 mm-40 -60.09 -41.98 93.66 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.854 0.462 . . . . 0.0 110.683 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' B' ' 54' ' ' ALA . 13.7 mt -72.4 -49.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.612 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.33 -22.35 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.125 -176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.437 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 3.8 ttm105 -65.8 -29.1 69.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.801 0.334 . . . . 0.0 111.263 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.2 -31.42 3.31 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.631 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.6 -44.55 23.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.006 0.432 . . . . 0.0 110.542 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.596 HD11 ' HE3' ' B' ' 59' ' ' TRP . 0.9 OUTLIER -91.87 -45.32 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 15.9 t -76.3 -53.41 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 19.6 t70 -74.28 -29.21 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.253 0.549 . . . . 0.0 109.962 -177.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . 83.99 43.61 7.08 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.899 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.477 ' HG3' ' HD2' ' B' ' 36' ' ' PRO . 0.0 OUTLIER -96.92 140.18 21.97 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.391 . . . . 0.0 110.775 -178.019 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.477 ' HD2' ' HG3' ' B' ' 35' ' ' LYS . 88.7 Cg_exo -50.35 141.47 32.09 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.134 2.556 . . . . 0.0 112.578 173.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -76.93 -34.57 57.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.504 -168.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.17 68.35 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -39.37 77.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.269 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.52 -32.52 73.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.957 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.26 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.72 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -46.52 33.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 15.6 m -63.37 -51.11 67.25 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' B' ' 46' ' ' LEU . 7.8 mt -95.66 -8.04 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.706 0.289 . . . . 0.0 111.543 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.22 33.53 32.1 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.336 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -89.92 168.88 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.243 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.99 169.88 10.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -46.63 81.94 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 111.053 -177.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.97 74.83 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.696 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.91 71.52 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.629 0.252 . . . . 0.0 111.371 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.65 -41.09 87.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' B' ' 56' ' ' HIS . 10.2 m -68.28 -27.16 66.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.474 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.535 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 5.4 tp-100 -66.83 -37.78 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.629 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.681 ' HA ' HG22 ' B' ' 23' ' ' THR . . . -67.84 -45.84 73.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.973 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.35 -38.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.375 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -68.23 -47.47 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 179.307 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.0 OUTLIER -69.78 -46.72 65.13 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -171.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.75 -40.06 85.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.372 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.596 ' HE3' HD11 ' B' ' 31' ' ' LEU . 56.5 t-105 -60.01 -47.82 84.26 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.055 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -30.99 71.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.888 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.34 83.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.968 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -75.61 -36.63 60.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.961 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.5 -37.65 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.517 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.55 -30.04 67.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 110.986 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.43 61.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.966 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.89 -13.03 59.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 mt 58.74 83.61 0.21 Allowed Pre-proline 0 N--CA 1.467 0.4 0 O-C-N 124.008 0.817 . . . . 0.0 111.166 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.97 127.96 21.75 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.898 2.399 . . . . 0.0 112.157 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.96 75.51 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.232 0.539 . . . . 0.0 110.885 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.47 64.76 2.85 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.747 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.43 118.48 31.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.996 0.427 . . . . 0.0 111.175 -175.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -155.0 141.57 18.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.12 104.45 16.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.426 HG11 ' HB2' ' A' ' 83' ' ' ALA . 27.1 m -104.11 116.74 48.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.314 -174.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -99.5 114.29 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.34 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.474 ' HB1' ' HG2' ' A' ' 90' ' ' GLU . . . -131.71 153.69 49.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.97 113.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 151.21 34.2 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.628 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 38.2 Cg_exo -61.62 150.45 85.47 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.793 2.328 . . . . 0.0 113.12 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.87 69.58 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.899 -176.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -69.87 -39.2 76.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.893 0.377 . . . . 0.0 110.612 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -72.7 -26.83 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.908 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.55 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -62.89 -22.56 66.81 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.475 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.38 -46.96 69.84 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.423 0.63 . . . . 0.0 110.435 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.409 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.2 OUTLIER -79.95 -25.66 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.067 -177.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 45.9 t -69.61 -31.14 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -28.86 66.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -76.51 -33.82 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.038 0.447 . . . . 0.0 110.481 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -73.14 -26.72 61.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.128 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 3.5 tt0 -63.03 -35.35 79.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.961 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.65 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.492 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' B' ' 95' ' ' LYS . 0.3 OUTLIER -80.21 -31.48 38.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . . . -73.85 -28.84 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.018 0.437 . . . . 0.0 110.125 173.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.28 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' B' ' 92' ' ' ASP . 33.2 mtpt -69.04 -9.37 52.17 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.525 -178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -76.92 -13.52 59.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.744 0.306 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -33.92 12.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.13 0.491 . . . . 0.0 110.109 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.49 138.43 31.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.149 -174.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.79 77.3 7.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.29 106.48 3.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.624 -1.171 . . . . 0.0 112.075 -172.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 . . . . . 0 C--O 1.243 0.751 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.121 175.656 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.25 0.548 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -137.91 130.56 29.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.276 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.15 139.21 56.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.016 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.632 ' HG3' ' HA3' ' A' ' 34' ' ' GLY . 2.9 mpt_? -94.31 146.8 23.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.353 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 32.6 tp -112.14 159.39 18.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.143 -176.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.2 151.64 22.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 42.9 mt-10 -68.57 -21.27 64.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.917 -172.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -63.56 -55.33 24.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -70.54 -23.88 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 24' ' ' ILE . 77.0 t80 -64.2 -45.95 86.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.577 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -61.47 -32.44 72.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.637 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 37.2 mt-10 -72.11 -43.93 63.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.02 176.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -61.26 -30.32 70.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.253 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 10' ' ' PHE . 41.5 pt -96.14 -11.91 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -42.49 -60.03 1.66 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.62 18.46 32.25 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.508 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.0 mm? -102.77 148.33 25.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 111.332 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.76 84.84 7.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.926 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.59 128.61 60.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.159 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.3 172.49 49.13 Favored Glycine 0 N--CA 1.433 -1.552 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.052 175.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -53.97 -37.32 63.84 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 123.756 0.327 . . . . 0.0 111.347 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 26' ' ' ILE . 95.6 mt-30 -59.23 -51.74 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.933 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' ' 54' ' ' ALA . 25.5 m -61.78 -38.6 88.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.409 0.623 . . . . 0.0 110.291 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 10' ' ' PHE . 75.6 mt -69.02 -46.97 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.843 -176.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.74 -31.22 67.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.416 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 22' ' ' GLN . 89.2 mt -69.5 -46.13 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HA ' HG22 ' A' ' 30' ' ' VAL . . . -64.62 -33.12 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.884 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.676 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 54.6 ttt180 -58.31 -28.89 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.292 0.568 . . . . 0.0 110.007 176.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.637 ' HA3' ' HZ ' ' A' ' 40' ' ' PHE . . . -93.69 -60.39 1.15 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.556 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 33.9 m -63.54 -29.38 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 117.302 0.551 . . . . 0.0 112.234 -174.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.721 HD21 HG23 ' A' ' 55' ' ' VAL . 91.9 mt -102.82 -61.38 1.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.237 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.676 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 64.5 t -63.66 -43.48 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.031 0.443 . . . . 0.0 111.3 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 23.2 t70 -86.53 -18.41 31.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.514 0.673 . . . . 0.0 109.777 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA3' ' HG3' ' A' ' 4' ' ' ARG . . . 68.72 29.8 72.73 Favored Glycine 0 CA--C 1.504 -0.606 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.013 -174.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 30' ' ' VAL . 21.6 ttmm -82.4 136.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.697 -0.751 . . . . 0.0 111.175 -170.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 64.6 Cg_exo -52.91 131.0 40.3 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.212 2.608 . . . . 0.0 112.637 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.502 ' H ' ' CD ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -56.56 -33.66 66.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.865 -174.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.43 -26.72 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.722 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.2 m -62.93 -47.47 83.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.637 ' HZ ' ' HA3' ' A' ' 29' ' ' GLY . 80.3 m-85 -70.68 -35.28 72.72 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.547 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.42 83.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.553 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.5 m -75.18 -50.89 14.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -73.77 -43.74 58.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -171.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 40' ' ' PHE . 7.2 mp -91.04 -4.23 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -177.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.5 29.23 68.25 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.792 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.48 157.64 19.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.931 0.396 . . . . 0.0 110.419 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 p -81.04 155.73 26.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.757 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -66.61 -27.07 67.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.797 -174.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.54 -30.3 53.65 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.545 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.87 -42.86 48.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.16 -39.22 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.274 0.559 . . . . 0.0 110.275 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 p -77.86 -19.76 54.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.411 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.42 -45.95 81.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.074 0.464 . . . . 0.0 110.178 176.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.608 ' HA ' HG23 ' A' ' 23' ' ' THR . . . -62.49 -42.71 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.05 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.721 HG23 HD21 ' A' ' 31' ' ' LEU . 6.8 p -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.795 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -66.68 -45.81 77.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG2' HG21 ' A' ' 23' ' ' THR . 22.8 tpt180 -56.86 -53.07 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.961 -175.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.5 t -78.41 -43.12 26.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' HZ3' ' HB2' ' A' ' 5' ' ' LEU . 68.0 t-105 -65.02 -41.69 95.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.241 -175.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.24 89.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.66 90.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.715 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.99 -44.3 97.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.825 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.91 -39.37 89.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.399 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.91 -22.25 63.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.651 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.637 ' HE2' ' HB3' ' A' ' 12' ' ' GLU . 26.3 mtpp -85.31 0.4 52.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.85 -10.97 54.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.038 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 47.7 tp -101.25 106.76 47.12 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.293 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 6.7 Cg_endo -88.02 96.56 0.41 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.37 2.714 . . . . 0.0 112.318 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -67.76 124.36 23.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.989 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.98 46.58 2.96 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.37 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -140.12 117.63 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.2 138.21 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.034 0.445 . . . . 0.0 111.641 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.9 119.51 39.65 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' B' ' 78' ' ' LEU . 35.9 m -85.15 144.6 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.245 0.545 . . . . 0.0 110.936 -173.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.5 m -135.25 118.71 16.84 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.183 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' B' ' 73' ' ' ARG . . . -139.95 172.93 12.06 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.611 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 70.4 t -77.1 108.25 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD23 ' HB2' ' B' ' 93' ' ' ALA . 54.6 mt -151.44 88.63 4.3 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.579 -175.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.75 176.63 1.67 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.275 1.984 . . . . 0.0 112.548 -177.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -36.35 45.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.971 -1.013 . . . . 0.0 113.715 -165.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -64.31 -43.58 94.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.038 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.425 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.1 mm100 -71.57 -40.96 69.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.194 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' B' ' 74' ' ' VAL . . . -59.75 -24.09 63.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.518 -175.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -52.76 -50.02 64.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 mt -79.99 -32.57 14.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.009 -176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 91.4 t -58.71 -45.01 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.934 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -62.41 -33.95 75.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.246 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -76.54 -29.48 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -78.92 -17.88 54.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.378 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.841 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 36.0 tt0 -55.89 -43.85 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 111.157 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.36 55.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.47 -39.92 77.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.73 ' HB2' HD23 ' B' ' 78' ' ' LEU . . . -65.88 -40.86 92.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.917 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.9 -34.5 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.201 0.524 . . . . 0.0 110.284 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 95' ' ' LYS . 1.3 tmmt? -68.78 -22.86 64.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.639 177.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -79.65 -26.75 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -77.68 -32.09 52.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.747 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -84.69 113.24 21.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.1 80.24 9.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.202 -176.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -111.37 -174.27 2.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.352 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.941 174.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 mtm . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.073 0.464 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -131.11 135.06 47.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.52 ' HD2' ' HZ2' ' B' ' 59' ' ' TRP . 38.6 ttmt -73.81 127.3 32.46 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.576 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 10.7 mtt180 -98.25 159.89 14.65 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.069 0.461 . . . . 0.0 110.88 -168.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 26.2 tp -125.01 153.8 42.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.514 -176.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.03 151.75 20.0 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 122.01 -0.431 . . . . 0.0 110.153 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 11' ' ' GLN . 45.1 mt-10 -66.83 -21.46 66.03 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -170.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -68.32 -46.99 68.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.373 0.606 . . . . 0.0 109.996 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -78.04 -22.87 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.588 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.36 -38.85 91.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.132 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 82.3 mm-40 -66.58 -34.97 79.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.615 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 51.1 mt-10 -69.58 -41.37 75.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.587 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.17 86.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.515 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 pt -78.05 -44.37 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' B' ' 12' ' ' GLU . 19.4 tm0? 44.2 -83.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.738 1.215 . . . . 0.0 113.231 174.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.21 32.75 1.14 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.4 154.62 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.97 82.51 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.29 141.81 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.049 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.78 156.83 40.94 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.022 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.3 -29.19 67.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.381 -0.409 . . . . 0.0 111.657 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.416 ' O ' HG13 ' B' ' 26' ' ' ILE . 90.4 mt-30 -62.2 -40.0 94.61 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.344 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.499 HG23 ' HA ' ' B' ' 54' ' ' ALA . 26.2 m -64.82 -40.99 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.442 0.639 . . . . 0.0 110.095 175.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.01 -41.33 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.246 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -63.98 -36.6 84.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' B' ' 51' ' ' VAL . 85.8 mt -69.15 -44.95 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.543 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -63.66 -28.58 70.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.293 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.724 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 60.0 ttt180 -60.04 -27.3 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.6 ' HA3' ' CZ ' ' B' ' 40' ' ' PHE . . . -99.37 -55.78 1.02 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.197 -1.002 . . . . 0.0 112.391 177.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.551 HG21 ' HB ' ' B' ' 55' ' ' VAL . 33.9 m -65.72 -28.08 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.543 HD12 ' HB1' ' B' ' 27' ' ' ALA . 72.4 mt -101.88 -57.76 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.32 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.724 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 82.8 t -58.54 -42.64 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.188 0.518 . . . . 0.0 111.429 -177.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 23.4 t70 -98.39 -13.92 20.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.112 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.576 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 69.36 31.92 71.66 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 19.1 ttmm -81.94 138.16 46.5 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.061 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 31.8 Cg_exo -59.76 140.73 94.77 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.898 2.399 . . . . 0.0 111.744 175.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.574 ' HB3' HG11 ' B' ' 51' ' ' VAL . 0.2 OUTLIER -62.76 -22.31 66.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.35 -172.02 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -35.78 66.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.914 -175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -62.33 -52.22 64.52 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.918 0.389 . . . . 0.0 111.399 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' HA3' ' B' ' 29' ' ' GLY . 87.9 m-85 -73.09 -43.14 62.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.741 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -64.48 -56.65 12.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.581 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.7 m -71.36 -34.0 70.07 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -173.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.7 t -81.6 -49.92 9.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.63 -174.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.36 -2.31 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 28.79 45.39 Favored Glycine 0 CA--C 1.508 -0.377 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.642 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 82.0 mt -98.71 154.91 17.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.045 0.45 . . . . 0.0 109.788 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -95.07 156.56 16.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -51.01 -48.24 61.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.169 0.293 . . . . 0.0 111.272 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.16 -28.22 73.29 Favored Glycine 0 N--CA 1.452 -0.259 0 O-C-N 123.583 0.552 . . . . 0.0 113.133 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.58 -39.19 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.154 0.502 . . . . 0.0 110.138 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.8 t -72.01 -41.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.04 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.549 ' HA ' HG12 ' B' ' 55' ' ' VAL . 33.8 p -69.27 -28.26 66.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.13 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.32 -42.73 99.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.101 0.476 . . . . 0.0 110.221 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.499 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -67.43 -45.13 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.463 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.551 ' HB ' HG21 ' B' ' 30' ' ' VAL . 7.4 p -64.55 -40.95 90.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.37 -51.0 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -63.02 -46.85 85.66 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.19 -44.05 81.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.031 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.52 ' HZ2' ' HD2' ' B' ' 3' ' ' LYS . 69.3 t-105 -64.77 -40.54 95.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.005 0.431 . . . . 0.0 110.527 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.67 96.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.571 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.21 76.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.22 -55.7 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.29 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.431 ' HA ' ' OD1' ' B' ' 66' ' ' ASN . 26.9 mt-10 -71.5 -28.83 64.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 111.248 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.96 -36.18 80.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -87.88 3.06 49.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.482 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.431 ' OD1' ' HA ' ' B' ' 63' ' ' GLU . 12.8 m120 -88.92 14.61 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 110.331 176.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.3 tp -113.03 87.01 9.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.26 123.71 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.226 2.617 . . . . 0.0 112.657 -173.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.21 136.96 33.3 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.9 33.77 2.84 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.105 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -140.19 118.49 12.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.8 152.94 20.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -113.37 106.14 14.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 176.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.704 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.3 m -88.67 148.14 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.026 0.441 . . . . 0.0 110.806 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.1 m -111.73 131.31 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.936 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.25 158.7 43.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.877 177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.841 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 59.2 t -78.96 113.74 18.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.73 HD23 ' HB2' ' A' ' 93' ' ' ALA . 63.7 mt -151.03 143.91 16.67 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.758 0.661 . . . . 0.0 109.487 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.0 Cg_exo -63.87 147.86 92.02 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.235 2.623 . . . . 0.0 112.624 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.04 69.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.419 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.76 -39.27 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.418 . . . . 0.0 110.181 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.51 -26.87 61.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.47 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.64 63.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.119 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -53.14 -49.06 67.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.41 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.7 mt -76.23 -29.66 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.931 -176.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.4 -36.05 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.447 176.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -66.38 -31.12 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.983 0.421 . . . . 0.0 110.55 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -75.89 -31.69 59.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.313 0.578 . . . . 0.0 109.858 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.513 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 15.5 m95 -73.39 -18.73 61.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.009 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.611 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 1.1 tm-20 -57.43 -49.3 76.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.342 0.592 . . . . 0.0 109.942 177.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -24.49 44.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.352 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 15.3 t70 -71.36 -39.57 71.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.9 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.773 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -57.85 -42.54 84.65 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.014 0.435 . . . . 0.0 110.604 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -71.65 -36.48 70.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.46 ' O ' ' HD2' ' B' ' 95' ' ' LYS . 0.2 OUTLIER -62.9 -37.9 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.273 -178.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.28 -27.32 68.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.656 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -94.37 1.52 55.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -103.49 126.57 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 109.923 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 p -81.99 84.49 6.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -172.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.438 ' HE3' ' HB2' ' B' ' 100' ' ' LYS . 19.2 ptmt -129.26 -179.1 4.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.746 170.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.41 178.743 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -86.54 85.33 7.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.367 0.603 . . . . 0.0 110.345 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -131.57 144.43 51.08 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.521 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.596 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -116.83 146.04 43.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.343 0.592 . . . . 0.0 110.832 178.107 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 6.6 tp -91.02 174.76 7.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.809 -168.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -102.29 167.99 9.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.78 -38.02 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.152 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -59.95 -47.24 86.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.921 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.52 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 96.4 mt-30 -76.84 -25.31 53.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 0.0 110.701 -178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.64 -42.45 98.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.645 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -62.97 -30.44 71.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.057 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.85 -36.84 84.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -74.7 -49.78 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.771 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.6 pt -77.42 -12.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -174.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -47.53 -55.17 9.73 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.6 8.56 68.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.012 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 13' ' ' ALA . 4.1 mm? -111.51 133.25 53.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.909 0.385 . . . . 0.0 111.635 -175.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -87.36 84.54 7.18 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.438 0.637 . . . . 0.0 109.775 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 m -116.9 138.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.008 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.5 145.7 49.68 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.96 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.9 -25.74 44.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.28 0.232 . . . . 0.0 111.212 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' ILE . 33.9 tt0 -59.06 -51.68 69.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -69.39 -31.44 69.83 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.52 -45.71 91.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.4 -32.0 70.9 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 22' ' ' GLN . 74.1 mt -70.03 -50.12 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-O 121.276 0.56 . . . . 0.0 109.601 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 31' ' ' LEU . . . -63.88 -27.32 69.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.421 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.678 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 71.8 ttt180 -64.01 -28.17 69.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 0.0 110.821 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -105.88 -38.06 2.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.963 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.65 -37.35 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-O 121.172 0.51 . . . . 0.0 111.309 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 10.3 tt -103.45 -33.78 8.95 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.443 -173.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.678 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 88.7 t -89.21 -56.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.605 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.6 t70 -70.98 -35.9 72.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 0.0 109.338 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.596 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 99.63 22.19 12.99 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.013 -0.994 . . . . 0.0 112.676 173.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 58.8 mttp -74.54 139.06 74.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.0 111.153 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 32.5 Cg_exo -58.5 127.02 23.09 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.19 2.594 . . . . 0.0 112.8 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' H ' ' CD ' ' A' ' 37' ' ' GLN . 25.4 mp0 -50.15 -54.3 21.71 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.66 -168.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.46 70.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.789 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -66.22 -43.96 85.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.134 0.492 . . . . 0.0 110.268 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.11 -44.39 88.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.865 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.575 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -57.43 -56.03 27.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.167 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.5 m -64.43 -28.97 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.662 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.6 m -74.0 -46.78 41.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.79 -7.05 53.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.1 22.9 43.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.115 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.09 156.6 16.5 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -79.86 155.32 27.86 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -66.62 -27.45 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.197 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.93 -45.13 86.28 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.022 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.06 83.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 41' ' ' ALA . 71.0 t -64.9 -45.06 95.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.424 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' HG12 ' A' ' 55' ' ' VAL . 62.7 p -69.62 -32.65 71.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 120.652 0.263 . . . . 0.0 110.678 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -61.15 -45.21 95.58 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.147 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.703 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.522 HG12 ' HA ' ' A' ' 52' ' ' SER . 14.3 p -69.12 -37.76 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.612 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -65.83 -50.21 65.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 111.054 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 26.7 tpt180 -61.46 -55.25 33.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.233 -175.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' HB ' HD13 ' A' ' 31' ' ' LEU . 97.7 t -62.93 -47.0 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -176.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -61.51 -48.17 82.25 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.866 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.51 -31.28 72.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.044 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.35 87.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.184 0.516 . . . . 0.0 110.773 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 60.1 t80 -67.13 -45.25 77.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.721 177.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.3 -39.81 91.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.156 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.595 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -77.42 2.75 15.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.795 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.54 -1.5 43.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.433 . . . . 0.0 110.079 174.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp 67.32 89.07 0.1 Allowed Pre-proline 0 N--CA 1.465 0.28 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.466 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.6 64.26 8.83 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.085 2.524 . . . . 0.0 111.844 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.537 ' HG2' ' HD1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -122.74 135.25 54.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.173 -177.793 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.3 43.1 1.04 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.0 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.537 ' HD1' ' HG2' ' A' ' 69' ' ' GLU . 40.3 m-85 -84.86 143.97 28.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.011 0.434 . . . . 0.0 110.761 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.76 151.83 37.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.379 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -119.92 129.77 54.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.028 0.442 . . . . 0.0 110.041 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' B' ' 78' ' ' LEU . 15.9 m -88.02 128.27 40.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.167 0.508 . . . . 0.0 110.556 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -120.97 113.89 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.753 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.92 163.64 33.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.462 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.77 109.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.821 HD23 ' HB2' ' B' ' 93' ' ' ALA . 56.2 mt -147.31 126.69 6.47 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 52.3 Cg_exo -55.73 146.38 66.35 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.836 2.358 . . . . 0.0 112.51 -176.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -53.65 -31.06 45.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.267 -174.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -64.95 -29.81 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.755 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -72.58 -27.48 62.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.779 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -61.94 -23.84 66.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.338 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.74 ' HD1' HD13 ' A' ' 85' ' ' ILE . 58.4 t80 -53.02 -39.5 63.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.077 174.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.74 HD13 ' HD1' ' A' ' 84' ' ' TYR . 0.5 OUTLIER -83.76 -35.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.241 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.87 -38.51 73.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.074 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -58.06 -33.65 69.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 111.298 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.18 -28.15 57.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.182 0.515 . . . . 0.0 110.266 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -82.52 -22.65 34.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.586 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 33.5 tt0 -61.87 -51.13 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.287 0.565 . . . . 0.0 110.057 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.2 62.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.561 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -76.74 -44.16 34.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.303 -178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' B' ' 79' ' ' PRO . . . -68.68 -35.1 76.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.484 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HA ' HE21 ' A' ' 97' ' ' GLN . 38.2 ttmt -66.5 -32.22 73.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.47 177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -69.96 -20.41 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.964 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.84 -5.27 37.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 94' ' ' LYS . 43.7 mt-30 -92.25 -27.58 17.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -96.69 116.89 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.311 0.577 . . . . 0.0 111.444 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.81 66.95 4.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.779 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -76.46 156.84 32.71 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.339 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.428 -179.215 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtt . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -83.68 67.14 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.002 0.906 . . . . 0.0 109.958 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -136.97 143.18 42.7 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.893 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' B' ' 32' ' ' VAL . 5.7 ppt_? -118.34 151.82 36.98 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.33 0.586 . . . . 0.0 110.6 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.3 171.83 8.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.855 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -98.79 160.56 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.403 ' HG2' HG11 ' B' ' 32' ' ' VAL . 49.8 mt-10 -64.47 -36.55 84.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.27 . . . . 0.0 111.332 -176.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -61.56 -42.13 98.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 90.9 mt-30 -78.17 -26.71 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.601 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.474 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 15' ' ' GLN . 23.6 mm-40 -59.97 -36.56 77.39 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.81 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 9' ' ' GLN . 65.9 mm-40 -64.05 -40.56 96.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.952 0.406 . . . . 0.0 111.286 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.532 -175.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.411 HD11 ' NE2' ' B' ' 11' ' ' GLN . 41.7 pt -116.15 -14.66 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' B' ' 11' ' ' GLN . 44.8 tt0 -41.96 -61.57 1.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.767 0.827 . . . . 0.0 112.91 -170.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.53 35.38 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.637 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 17' ' ' LEU . 3.9 mm? -100.98 146.35 27.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.948 0.404 . . . . 0.0 110.911 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -85.86 83.62 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.673 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 m -135.26 144.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.481 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.64 141.66 40.8 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.567 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HA ' HD12 ' B' ' 24' ' ' ILE . 12.3 pt20 -54.24 -34.8 61.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.526 0.203 . . . . 0.0 111.277 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.518 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.2 mt-30 -62.39 -47.53 83.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.67 68.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.887 0.375 . . . . 0.0 111.082 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 21' ' ' GLN . 82.7 mt -68.45 -49.56 64.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.2 0.524 . . . . 0.0 109.992 174.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 21' ' ' GLN . 42.8 mt-10 -64.51 -29.53 70.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.786 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 22' ' ' GLN . 85.0 mt -71.72 -48.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.338 0.59 . . . . 0.0 109.715 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -61.5 -28.2 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.665 -176.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.698 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 53.9 ttt180 -62.92 -28.78 70.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.717 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -102.57 -43.72 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.624 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.591 HG21 HG13 ' B' ' 51' ' ' VAL . 5.9 t -70.82 -40.78 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.248 0.547 . . . . 0.0 111.57 -178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.2 tt -104.09 -30.81 10.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.678 -172.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 99.1 t -96.12 -43.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.486 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 11.9 t70 -78.97 -28.03 43.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.592 0.711 . . . . 0.0 109.229 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.533 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 96.22 25.46 12.55 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.245 -0.888 . . . . 0.0 112.22 176.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 125.37 60.11 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-O 120.632 0.253 . . . . 0.0 110.926 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.98 144.56 44.95 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.081 2.521 . . . . 0.0 112.125 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -58.09 -35.31 71.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.112 -173.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.06 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.725 0.298 . . . . 0.0 111.02 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.0 m -68.27 -52.47 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.91 -38.57 91.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.17 -174.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -58.54 -51.17 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.873 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -65.61 -37.51 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.097 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -61.7 -50.11 73.76 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.28 -12.8 25.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.41 9.44 61.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.374 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.91 155.98 28.78 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.0 p -80.81 155.15 26.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -65.08 -31.85 73.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.982 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.88 -35.86 92.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.55 -38.45 62.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.104 0.478 . . . . 0.0 110.411 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.591 HG13 HG21 ' B' ' 30' ' ' VAL . 83.6 t -68.48 -43.98 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.417 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.8 p -69.77 -28.25 65.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -62.99 -40.26 97.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.96 74.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.473 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.48 -36.78 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.211 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.48 -50.64 68.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 0.0 111.699 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.466 ' HA ' ' HD2' ' B' ' 57' ' ' ARG . 20.4 tpt180 -70.01 -49.84 47.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.463 -172.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.52 -45.45 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.54 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -59.61 -48.66 80.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.397 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.6 85.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.268 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' B' ' 65' ' ' LYS . . . -62.36 -46.74 87.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.336 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.649 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 86.1 t80 -64.15 -40.83 96.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.447 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.38 -38.6 87.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.872 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.2 -27.73 69.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.066 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' B' ' 61' ' ' ALA . 46.1 mtpt -72.8 -16.2 61.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.13 -13.46 57.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.139 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tt 59.71 90.74 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 123.729 0.643 . . . . 0.0 111.162 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.1 87.8 0.86 Allowed 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.833 2.355 . . . . 0.0 111.601 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.73 111.88 23.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.949 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.95 25.12 2.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.841 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -91.35 149.81 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.67 147.01 27.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.929 0.395 . . . . 0.0 110.755 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -117.83 134.13 55.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.657 HG22 ' HB2' ' A' ' 78' ' ' LEU . 33.1 m -95.23 147.4 5.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.071 0.462 . . . . 0.0 110.723 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.5 m -140.95 118.04 11.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.335 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.95 165.4 29.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.887 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.648 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.0 t -81.47 107.99 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.536 ' HB2' HG22 ' A' ' 74' ' ' VAL . 5.7 mp -146.58 127.54 7.2 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 51.0 Cg_exo -54.62 145.08 61.08 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.506 2.138 . . . . 0.0 111.668 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.75 -17.88 26.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.733 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -56.23 -39.07 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.985 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.424 ' O ' HG23 ' B' ' 86' ' ' VAL . 32.8 mm-40 -72.44 -31.17 65.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.649 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.42 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -61.92 -24.01 66.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . 0.677 ' HD1' HD13 ' B' ' 85' ' ' ILE . 57.6 t80 -53.45 -39.87 64.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.335 0.588 . . . . 0.0 110.097 174.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.677 HD13 ' HD1' ' B' ' 84' ' ' TYR . 0.3 OUTLIER -84.43 -38.54 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 82' ' ' GLN . 88.5 t -61.42 -41.71 91.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.148 -174.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -63.97 -21.56 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -81.06 -41.69 22.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -72.29 -18.9 61.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.843 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.61 -38.51 90.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.531 . . . . 0.0 110.73 177.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.32 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.403 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' B' ' 96' ' ' LYS . 12.0 t70 -80.02 -35.69 36.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.504 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -62.53 -37.02 84.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.406 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -72.63 -25.06 61.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.198 0.523 . . . . 0.0 110.193 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' B' ' 95' ' ' LYS . 36.5 ttpt -75.91 -26.21 56.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.058 175.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 92' ' ' ASP . 68.8 mmtt -62.84 -37.11 85.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.235 0.54 . . . . 0.0 110.018 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -85.84 -31.09 22.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.305 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -118.24 81.13 1.63 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.84 0.829 . . . . 0.0 110.154 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 6.1 m -98.25 88.02 4.06 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.738 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -168.1 1.05 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.684 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 101' ' ' ARG . 37.0 mtp85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.312 -0.851 . . . . 0.0 109.705 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.765 0.317 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -98.21 158.15 15.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.033 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.84 171.46 13.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.731 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 73.0 mtt180 -110.29 150.44 28.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -171.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . 13.7 tp -90.25 130.62 36.35 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 156.43 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.122 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -51.07 -45.2 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.921 0.391 . . . . 0.0 111.208 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -59.62 -47.34 85.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.144 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.87 -38.24 90.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.553 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.77 -44.15 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -44.54 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.519 178.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.99 -43.57 92.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.85 -49.44 74.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.442 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.1 pt -64.16 -33.32 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.972 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 42.47 -88.4 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.47 1.106 . . . . 0.0 113.389 170.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.25 32.32 1.04 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.4 mm? -69.63 139.27 53.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 111.39 -176.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 1.5 pm0 -83.72 83.41 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.649 0.738 . . . . 0.0 110.298 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 57' ' ' ARG . 12.7 m -141.66 142.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.941 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.39 146.65 50.09 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.691 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -54.42 -24.15 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.691 0.396 . . . . 0.0 111.519 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.5 mm-40 -59.68 -50.82 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 176.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -61.69 -37.83 85.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.474 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.09 -39.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.88 -31.51 71.36 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 82.5 mt -64.43 -50.27 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.92 72.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.331 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 31.1 mtp180 -59.27 -38.87 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.04 0.34 51.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.221 -176.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 37' ' ' GLN . 2.1 t -111.52 -52.18 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 55' ' ' VAL . 3.9 pp -104.44 -27.24 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.826 -177.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 87.6 t -78.67 -42.71 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.374 0.607 . . . . 0.0 109.679 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.473 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 25.4 t0 -83.55 -18.12 39.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.881 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.731 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.62 26.81 72.96 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.986 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -96.9 149.6 35.91 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.673 0.273 . . . . 0.0 111.024 -176.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.71 120.8 5.66 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.318 2.679 . . . . 0.0 112.527 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 30' ' ' VAL . 1.7 mp0 -57.46 -35.03 69.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.618 -175.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.334 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -65.42 -40.8 93.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 22.8 t80 -66.66 -40.13 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.426 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.706 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . . . -61.75 -50.0 74.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.647 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -60.69 -33.95 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.904 0.383 . . . . 0.0 111.216 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -73.29 -51.47 17.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.912 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.13 3.04 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 36.78 37.0 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.673 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 61.6 mt -99.37 158.76 15.5 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -100.01 157.01 16.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.64 -52.13 32.88 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.52 -43.34 97.65 Favored Glycine 0 C--O 1.227 -0.313 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.87 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.21 81.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 111.101 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' A' ' 41' ' ' ALA . 95.4 t -68.2 -41.46 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.141 0.496 . . . . 0.0 110.798 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -66.49 -29.72 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.773 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.53 -41.87 96.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.259 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.77 89.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.532 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.8 ' HA ' HD23 ' A' ' 31' ' ' LEU . 9.8 p -68.33 -40.39 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.337 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -66.18 -49.77 66.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 0.0 111.301 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HG2' HG11 ' A' ' 19' ' ' VAL . 6.4 tpt180 -58.18 -49.72 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.656 -174.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.502 ' HB ' HD21 ' A' ' 31' ' ' LEU . 86.0 t -74.46 -46.58 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.427 -176.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 5' ' ' LEU . 17.4 t-105 -61.44 -41.32 97.02 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.058 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -36.48 82.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.239 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.57 -33.2 75.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 110.775 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.09 -41.88 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.675 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -71.82 -46.87 56.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.48 -7.51 53.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.502 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -62.51 -24.24 67.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.17 8.83 7.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.379 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.2 mt -122.86 73.99 46.12 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 110.766 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.58 -24.92 5.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.088 2.526 . . . . 0.0 113.054 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -130.1 132.48 46.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.747 0.308 . . . . 0.0 110.227 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.89 -22.94 34.35 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.52 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.73 118.38 30.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.672 -0.311 . . . . 0.0 110.165 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.17 154.87 36.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.216 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.6 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 37.4 ptt180 -86.63 110.1 19.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.285 0.564 . . . . 0.0 110.209 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' B' ' 75' ' ' THR . 29.3 m -87.66 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.975 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.3 m -117.37 119.4 34.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 111.205 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.738 ' HA ' ' HG2' ' B' ' 90' ' ' GLU . . . -132.85 149.51 52.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.779 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 90.2 t -77.83 122.0 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.172 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD13 ' HG2' ' A' ' 82' ' ' GLN . 51.5 mt -154.72 137.45 10.17 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 78' ' ' LEU . 50.3 Cg_exo -56.1 152.31 38.22 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.476 2.118 . . . . 0.0 112.182 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.9 -22.73 64.63 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.838 -173.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.71 -41.18 98.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HG2' HD13 ' A' ' 78' ' ' LEU . 7.1 tp60 -72.44 -32.25 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.805 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.41 -24.93 66.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.537 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -52.85 -45.81 67.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.319 0.58 . . . . 0.0 110.028 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -84.5 -29.43 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.571 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG11 ' HB ' ' B' ' 74' ' ' VAL . 92.4 t -62.64 -37.69 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.158 176.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.04 -31.95 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.949 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -80.75 -43.76 19.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.9 178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -60.1 -36.52 77.62 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.913 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.42 -44.68 96.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.0 109.916 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.5 73.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.558 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 24.6 t70 -67.47 -35.46 79.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.623 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . . . -64.4 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.363 0.601 . . . . 0.0 110.426 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.1 -27.04 48.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.949 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.697 ' HG3' ' HB3' ' A' ' 100' ' ' LYS . 2.2 ttpm? -73.61 -15.32 61.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.391 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 64.5 mttm -76.67 -11.22 59.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.532 0.682 . . . . 0.0 109.715 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.34 -50.78 2.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.275 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.08 138.53 39.6 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -78.7 58.66 2.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.542 0.687 . . . . 0.0 112.179 -170.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.697 ' HB3' ' HG3' ' A' ' 95' ' ' LYS . 12.8 tmtt? -101.63 133.18 46.73 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 100' ' ' LYS . 55.6 mtt180 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.634 -0.698 . . . . 0.0 109.805 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.002 0.43 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -96.08 147.89 23.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -66.1 162.68 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 0.0 110.417 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.865 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 94.7 mtt180 -104.55 138.87 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.673 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.73 137.04 32.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.2 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -75.94 156.79 33.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.91 -30.65 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.075 0.464 . . . . 0.0 110.02 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -65.91 -48.77 70.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.96 -35.58 80.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' B' ' 24' ' ' ILE . 67.1 t80 -62.76 -42.97 99.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.489 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -46.17 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.611 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.46 -42.15 92.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.83 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.771 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 35.5 pt -83.31 -39.08 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.909 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 33.08 -90.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.775 1.23 . . . . 0.0 113.692 175.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.89 34.97 2.04 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.13 160.15 20.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.733 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' B' ' 18' ' ' GLU . 1.1 pm0 -81.78 83.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.877 0.846 . . . . 0.0 109.604 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 m -130.23 132.57 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.66 147.64 43.87 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.879 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.02 -23.88 66.65 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.628 ' HA ' ' HB3' ' B' ' 25' ' ' GLU . 20.0 mt-30 -77.93 -30.41 50.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.917 174.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.645 HG23 ' HA ' ' B' ' 54' ' ' ALA . 21.1 m -62.99 -39.01 93.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 172.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' B' ' 10' ' ' PHE . 75.2 mt -67.86 -45.32 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.349 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.628 ' HB3' ' HA ' ' B' ' 22' ' ' GLN . 3.0 tt0 -55.82 -41.21 73.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.65 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.534 HG21 ' HA ' ' B' ' 51' ' ' VAL . 80.3 mt -72.89 -50.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.675 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.7 71.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.887 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.682 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 16.6 mtp180 -54.14 -29.51 45.51 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 112.032 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -108.04 -35.53 2.53 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.087 -1.054 . . . . 0.0 111.539 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' B' ' 37' ' ' GLN . 4.0 t -70.15 -51.66 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' B' ' 55' ' ' VAL . 3.9 pp -107.53 -23.05 12.3 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.129 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.682 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 89.3 t -81.42 -50.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.835 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 28.3 t70 -80.85 -18.41 47.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.449 0.642 . . . . 0.0 109.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.865 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 68.5 41.45 84.64 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.75 -1.114 . . . . 0.0 113.283 171.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -106.76 152.27 40.78 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.3 124.08 5.98 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.101 2.534 . . . . 0.0 111.924 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.712 ' HG3' HG13 ' B' ' 30' ' ' VAL . 2.0 mp0 -60.07 -31.83 70.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.578 -171.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.556 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -63.3 -42.33 99.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.57 -34.9 63.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.861 ' HA ' ' HB2' ' B' ' 46' ' ' LEU . . . -56.87 -44.61 82.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.167 173.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.9 m -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.433 ' HB3' HD22 ' B' ' 44' ' ' LEU . 45.1 t -69.33 -56.1 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.177 -173.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.575 ' HB2' ' HG ' ' B' ' 46' ' ' LEU . 2.4 mm? -91.76 5.97 47.77 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.646 -172.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.53 34.83 74.05 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.242 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.861 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 62.5 mt -86.14 155.64 20.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.26 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -91.25 158.82 16.37 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.61 -43.78 93.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.229 0.537 . . . . 0.0 110.133 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -61.98 -41.61 99.68 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.411 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.95 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.615 0.245 . . . . 0.0 111.111 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' B' ' 41' ' ' ALA . 98.0 t -61.91 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.7 t -67.07 -33.62 75.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 6.5 tp60 -64.75 -43.37 93.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.341 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.645 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.39 -42.84 92.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.71 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.704 ' HA ' HD23 ' B' ' 31' ' ' LEU . 13.1 p -69.21 -36.29 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.3 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -65.99 -50.91 62.63 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.602 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' B' ' 18' ' ' GLU . 22.3 tpt180 -60.7 -56.97 14.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.359 -172.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.535 ' HB ' HD21 ' B' ' 31' ' ' LEU . 96.7 t -66.53 -41.08 87.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.6 0.238 . . . . 0.0 111.441 -174.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -65.67 -36.25 83.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.077 0.465 . . . . 0.0 110.282 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.93 77.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.648 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.01 88.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.351 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -61.53 -45.73 92.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.4 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -61.49 -46.19 91.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.285 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.45 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.427 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -65.34 -29.09 69.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 110.791 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.431 ' O ' ' HD3' ' B' ' 68' ' ' PRO . 92.7 m-20 -73.97 -4.61 36.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.059 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 97.8 mt -117.88 74.76 9.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.193 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' B' ' 66' ' ' ASN . 18.9 Cg_endo -93.9 32.41 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.523 2.815 . . . . 0.0 112.684 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.63 112.96 3.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.12 -7.59 76.9 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.114 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -104.55 118.37 36.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.17 154.11 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.192 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 27.4 ptt180 -96.99 114.41 26.02 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.543 0.687 . . . . 0.0 109.187 174.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.545 ' HB ' HG11 ' A' ' 86' ' ' VAL . 31.2 m -86.45 145.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.053 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 73' ' ' ARG . 41.5 m -129.48 132.73 46.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.62 153.94 36.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.017 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.623 ' HB ' ' HB3' ' A' ' 93' ' ' ALA . 46.3 t -79.14 116.04 22.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.886 0.374 . . . . 0.0 110.379 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 77' ' ' VAL . 1.1 mt -151.15 134.28 8.85 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.75 147.01 90.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.517 2.145 . . . . 0.0 111.287 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . 0.757 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 47.4 mt-10 -62.38 -19.55 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.252 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -67.34 -39.89 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 0.0 109.883 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.44 ' HG2' HD22 ' B' ' 78' ' ' LEU . 7.5 tp60 -73.38 -41.74 62.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.426 0.631 . . . . 0.0 109.572 172.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -59.72 -22.72 62.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.983 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -51.58 -45.01 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.157 0.503 . . . . 0.0 110.168 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 mt -83.8 -30.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.39 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.495 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 59.8 t -63.45 -37.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.126 176.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -60.52 -32.51 71.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.769 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -46.1 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 19.2 m0 -63.88 -28.6 69.95 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.656 178.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.738 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 3.7 tm-20 -55.6 -51.99 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.701 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.89 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 22.0 t70 -64.75 -39.36 93.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.043 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -63.42 -42.14 98.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.15 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' B' ' 95' ' ' LYS . 27.9 ttpt -65.81 -33.67 76.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.318 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.34 -19.69 66.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 111.414 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -88.76 -13.79 38.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.21 0.529 . . . . 0.0 109.976 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -99.02 152.8 19.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.461 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -82.82 76.87 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.349 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -138.86 127.64 23.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.25 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 36.1 mtt180 . . . . . 0 C--O 1.254 1.315 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.013 176.018 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.24 134.89 2.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.449 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.531 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -127.73 164.72 21.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.742 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -118.31 169.51 9.67 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -177.269 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 5' ' ' LEU . 14.0 mt -135.12 169.06 18.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.545 0.688 . . . . 0.0 112.711 -170.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.62 162.23 13.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.193 171.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -46.7 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.567 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.16 -29.21 66.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.86 0.362 . . . . 0.0 111.203 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.8 -44.58 85.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.428 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -27.43 61.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.481 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.57 -35.01 70.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.579 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -43.28 84.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' HB ' HG21 ' A' ' 19' ' ' VAL . 4.9 pt -81.51 -7.48 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -73.38 118.12 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.47 0.48 67.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.123 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -106.73 155.98 19.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 110.671 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.78 84.48 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.471 0.653 . . . . 0.0 109.496 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.445 HG21 ' HB ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -120.78 128.77 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.916 -178.355 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.79 168.24 41.27 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.409 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.15 -36.78 71.14 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.255 0.622 . . . . 0.0 111.832 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -65.55 -41.22 93.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.667 0.27 . . . . 0.0 110.998 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -68.51 -43.07 77.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.287 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.6 mt -70.06 -46.73 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.971 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -66.63 -31.95 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.0 -46.34 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.086 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.27 64.81 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.718 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 8.9 ttm-85 -63.93 -29.36 70.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.125 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.78 -38.91 2.44 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.843 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG11 ' HB ' ' A' ' 55' ' ' VAL . 1.4 t -70.14 -41.29 78.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 122.923 0.489 . . . . 0.0 111.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -94.5 -62.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.403 -178.152 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 21.4 t -54.14 -54.07 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.005 0.522 . . . . 0.0 112.253 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -22.72 37.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.959 0.409 . . . . 0.0 110.205 -178.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.742 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 78.75 31.03 45.89 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.159 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -78.61 149.2 74.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.453 0.168 . . . . 0.0 110.861 -177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.78 136.29 44.96 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.803 2.336 . . . . 0.0 112.545 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -32.07 73.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.238 -176.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.43 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.365 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -36.61 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.603 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -39.96 94.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.26 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.194 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -66.93 -42.61 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.811 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.0 m -70.78 -50.32 37.06 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.55 -9.58 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.53 33.82 24.19 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.029 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.49 166.75 10.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.104 0.478 . . . . 0.0 110.376 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.49 155.03 22.36 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -68.42 -37.23 80.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.432 0.158 . . . . 0.0 111.092 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.61 -30.26 74.68 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.539 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.03 69.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.622 0.249 . . . . 0.0 111.013 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.32 -40.77 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 55' ' ' VAL . 17.3 m -70.41 -24.66 62.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.472 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.52 -34.04 71.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.708 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -74.48 -41.33 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.748 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.565 HG23 HD13 ' A' ' 31' ' ' LEU . 7.5 p -67.76 -36.57 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -48.02 75.27 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.355 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -56.3 22.42 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.567 0.542 . . . . 0.0 112.349 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.82 -35.23 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.531 ' CH2' ' HB3' ' A' ' 3' ' ' LYS . 39.9 t-105 -69.41 -36.24 76.52 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.134 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.09 91.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.59 98.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.91 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 66' ' ' ASN . 78.3 t80 -61.44 -51.83 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.221 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.45 -38.26 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.327 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.64 -41.5 83.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.84 -15.16 52.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.967 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -93.35 -3.87 52.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.576 0.227 . . . . 0.0 111.341 -178.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -49.11 16.71 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.46 105.53 0.36 Allowed 'Trans proline' 0 C--N 1.364 1.346 0 C-N-CA 122.174 1.916 . . . . 0.0 111.893 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -141.78 120.91 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.228 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.01 -21.22 47.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.411 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -96.92 131.81 43.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.0 135.0 50.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.634 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.75 112.06 24.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.294 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' B' ' 78' ' ' LEU . 32.6 m -87.73 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.027 0.441 . . . . 0.0 110.589 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.566 HG22 ' HD3' ' B' ' 73' ' ' ARG . 0.2 OUTLIER -131.22 133.32 45.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.207 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.728 ' HB2' HG13 ' B' ' 86' ' ' VAL . . . -143.73 152.15 40.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.58 111.15 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' HB2' HG22 ' B' ' 74' ' ' VAL . 0.2 OUTLIER -155.36 148.38 18.2 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.636 -176.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.681 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 28.4 Cg_exo -61.79 146.26 96.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.883 2.389 . . . . 0.0 112.944 -178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -67.76 -25.87 65.83 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.785 -177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -68.79 -31.87 71.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.805 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -26.25 61.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.422 176.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.84 60.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.032 0.533 . . . . 0.0 112.13 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -52.35 -47.06 66.31 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 173.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.991 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.47 -30.52 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' A' ' 87' ' ' ARG . 12.2 mmm-85 -64.18 -29.12 70.25 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 111.09 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -38.54 48.25 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.094 0.473 . . . . 0.0 110.159 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 39.9 m0 -72.19 -24.1 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.029 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.605 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 57.0 tt0 -70.53 -38.57 74.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 175.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.81 76.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.397 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.68 -37.34 82.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.091 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.35 68.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.655 0.264 . . . . 0.0 111.011 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -40.26 94.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 0.0 109.989 173.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -78.16 -8.59 58.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.553 177.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 100' ' ' LYS . 6.4 tttp -81.41 -19.44 42.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 0.0 110.117 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -102.3 -33.59 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.143 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -95.94 126.54 41.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.173 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.98 44.99 15.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.912 0.757 . . . . 0.0 111.796 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 17.1 mttt -136.23 138.91 42.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 178.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.279 178.892 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.142 0.496 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.28 72.19 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.305 0.574 . . . . 0.0 110.406 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -76.28 132.18 39.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.008 171.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.652 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.0 OUTLIER -111.61 170.18 8.31 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.51 -173.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.38 172.67 10.44 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.368 0.604 . . . . 0.0 112.517 -171.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 p -98.97 155.72 17.28 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.007 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.485 ' HG3' HG11 ' B' ' 32' ' ' VAL . 2.7 mp0 -67.2 -24.21 65.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.845 0.355 . . . . 0.0 110.767 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -50.15 58.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.317 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -77.93 -22.94 48.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.91 0.386 . . . . 0.0 110.587 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.46 -38.04 88.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.467 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -65.4 -45.94 81.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -34.86 78.21 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.662 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.36 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 12.4 pt -81.81 -11.89 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.75 107.05 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.213 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.29 0.39 61.41 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.478 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' B' ' 19' ' ' VAL . 0.4 OUTLIER -89.91 146.11 24.64 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.175 0.512 . . . . 0.0 111.176 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -88.11 83.76 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.344 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' B' ' 17' ' ' LEU . 0.0 OUTLIER -135.39 146.36 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.088 -177.413 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.08 156.46 45.59 Favored Glycine 0 N--CA 1.435 -1.414 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.064 172.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -63.42 -23.51 67.43 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.539 0.335 . . . . 0.0 111.419 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -65.07 -48.28 74.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.994 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -35.72 81.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 57.6 mt -69.35 -41.28 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.14 -32.6 74.38 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.628 HG21 ' HA ' ' B' ' 51' ' ' VAL . 64.7 mt -71.85 -49.95 41.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.275 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.25 -19.82 65.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.162 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.494 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 0.0 OUTLIER -65.94 -34.13 77.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.888 176.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -99.36 -28.59 7.52 Favored Glycine 0 C--O 1.223 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -79.08 -42.32 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -177.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' B' ' 31' ' ' LEU . 0.1 OUTLIER -97.22 -60.93 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.54 -177.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 14.5 t -60.52 -50.65 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -177.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 35.8 t0 -74.77 -50.28 17.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.652 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 109.2 49.77 0.75 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.621 175.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 0.5 OUTLIER -103.4 137.6 19.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.586 0.232 . . . . 0.0 110.71 -178.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 36.1 Cg_exo -62.91 149.44 91.48 Favored 'Trans proline' 0 C--O 1.24 0.579 0 C-N-CA 123.105 2.537 . . . . 0.0 112.607 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -62.36 -41.64 98.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.77 -177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -39.18 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.936 -177.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -35.16 77.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.803 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.95 -50.56 68.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -43.01 73.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.3 m -76.63 -42.6 41.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -12.14 41.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.02 8.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.148 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.561 HD13 HG12 ' B' ' 26' ' ' ILE . 2.1 mt -112.85 166.02 11.78 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.13 155.06 25.21 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -63.73 -40.4 96.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.164 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -31.08 68.33 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.797 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.46 -45.91 67.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.987 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.628 ' HA ' HG21 ' B' ' 26' ' ' ILE . 48.2 t -62.23 -43.36 97.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.905 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -71.63 -25.96 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.822 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.55 -37.59 71.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.514 0.197 . . . . 0.0 110.563 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.12 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.14 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.559 ' HB ' HG11 ' B' ' 30' ' ' VAL . 2.2 p -65.61 -45.11 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -43.12 84.14 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -64.21 -50.02 69.67 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.21 -39.55 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -64.5 -40.01 94.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.591 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.46 80.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.969 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.56 -39.32 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.37 -40.51 93.63 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.69 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.04 -35.18 76.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -70.93 -39.4 72.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.033 0.444 . . . . 0.0 110.708 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -79.97 2.07 24.99 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.54 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.58 -5.31 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.527 177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' B' ' 67' ' ' LEU . 0.2 OUTLIER -79.22 -48.99 1.5 Allowed Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.439 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -70.01 78.47 1.09 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 122.284 1.99 . . . . 0.0 112.551 175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.34 118.26 23.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.372 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 -56.93 2.93 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.289 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.68 146.04 27.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.437 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.25 165.75 18.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.651 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.566 ' HD3' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -123.16 115.32 21.58 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 176.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 78' ' ' LEU . 14.2 m -85.54 131.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.314 0.578 . . . . 0.0 111.247 -176.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . 0.47 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -112.65 126.07 54.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.886 176.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.77 155.26 41.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.617 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.605 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 95.5 t -77.56 120.51 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.417 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -158.85 147.36 14.04 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 123.803 0.689 . . . . 0.0 109.281 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.89 157.05 45.33 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.629 2.219 . . . . 0.0 113.386 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.74 63.45 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.948 -175.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.216 0.531 . . . . 0.0 110.447 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -26.33 61.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.164 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.576 ' HA ' ' HB ' ' B' ' 86' ' ' VAL . . . -63.71 -23.75 67.5 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.15 -50.19 73.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.186 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.32 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.662 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.728 HG13 ' HB2' ' A' ' 76' ' ' ALA . 2.7 t -65.25 -37.01 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.011 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -68.75 -26.93 65.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.199 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -35.72 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.134 0.492 . . . . 0.0 110.089 175.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -72.82 -18.52 61.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.37 -51.86 66.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 121.297 0.57 . . . . 0.0 110.891 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.02 44.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.9 -40.26 72.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.472 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.681 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -72.83 -28.86 62.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -69.51 -40.7 76.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.102 0.477 . . . . 0.0 110.045 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -70.3 -23.22 62.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -65.79 -26.26 67.62 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.389 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -106.86 -32.87 7.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.5 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.95 121.9 30.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.042 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.26 33.67 20.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 100' ' ' LYS . 0.9 OUTLIER -139.76 115.02 9.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 15.3 mtm105 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.873 177.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.97 27.3 7.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.861 ' HB2' ' HH2' ' A' ' 59' ' ' TRP . 83.1 mttt -89.17 162.61 15.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -119.95 132.02 55.38 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 28.7 mt -100.93 160.05 14.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.9 p -103.74 170.55 7.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.145 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.15 -41.07 91.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.086 0.403 . . . . 0.0 110.574 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 p -62.7 -45.08 94.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 -177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -78.0 -23.92 48.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.996 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -68.64 -34.27 75.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.065 0.459 . . . . 0.0 110.142 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -62.31 -26.38 68.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.485 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -71.6 -43.53 66.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -66.96 -22.13 65.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.408 -174.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG21 HG23 ' A' ' 24' ' ' ILE . 37.4 pt -109.85 -10.43 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -46.9 -68.83 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.23 31.17 8.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.55 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.93 132.85 52.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.675 0.274 . . . . 0.0 110.875 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -84.35 83.23 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.186 0.517 . . . . 0.0 109.653 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.42 HG23 HD11 ' A' ' 24' ' ' ILE . 3.2 m -127.3 133.58 67.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.417 -177.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.26 151.24 50.27 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.66 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 2.8 pt20 -48.77 -43.99 38.34 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 26' ' ' ILE . 24.2 mm-40 -58.39 -40.72 83.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.082 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 m -62.09 -41.88 98.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.251 0.548 . . . . 0.0 110.153 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.449 HG23 HG21 ' A' ' 14' ' ' ILE . 72.3 mt -69.82 -51.52 39.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.276 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 47.3 mt-10 -62.52 -26.34 68.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.893 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.533 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 75.0 mt -69.54 -50.67 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 CA-C-O 121.027 0.442 . . . . 0.0 109.828 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . . . -65.98 -25.39 67.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.941 -174.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 48.9 ttt180 -66.79 -29.82 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.89 10.8 27.41 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.542 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.704 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 2.1 t -112.61 -52.29 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.583 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 55' ' ' VAL . 78.7 mt -82.83 -42.46 17.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.347 0.594 . . . . 0.0 110.855 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 21.2 t -74.45 -25.3 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.243 -177.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.484 ' OD2' ' HG3' ' A' ' 36' ' ' PRO . 37.0 t70 -96.67 -14.82 21.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.73 30.82 2.91 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.926 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 39.0 tttm 65.19 55.02 1.18 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 168.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.704 ' HD2' ' HA ' ' A' ' 30' ' ' VAL . 86.5 Cg_endo -97.74 57.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.089 2.526 . . . . 0.0 111.365 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -55.39 -46.78 76.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.56 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.97 90.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 m -64.86 -47.51 77.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.729 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 26' ' ' ILE . 28.7 t80 -65.57 -41.17 93.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.937 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.551 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -58.61 -55.74 31.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.827 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 m -65.98 -26.24 67.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.99 0.424 . . . . 0.0 111.171 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.0 t -66.97 -47.62 71.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -92.61 -11.64 33.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.368 . . . . 0.0 111.507 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.19 64.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.789 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 26' ' ' ILE . 95.9 mt -82.39 157.15 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.81 155.98 23.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.119 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.59 -45.56 70.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.86 94.4 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.243 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.13 93.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.138 0.469 . . . . 0.0 110.651 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 41' ' ' ALA . 69.4 t -63.25 -35.18 71.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.489 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.735 ' HA ' HG12 ' A' ' 55' ' ' VAL . 33.2 m -72.79 -30.01 63.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.41 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.74 -45.92 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.06 79.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 52' ' ' SER . 7.5 p -64.42 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.742 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.15 -46.68 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.26 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -61.31 -53.9 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.073 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.74 -43.11 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.197 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.861 ' HH2' ' HB2' ' A' ' 3' ' ' LYS . 72.3 t-105 -63.58 -43.77 96.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.627 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -62.59 -37.51 86.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.61 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 90.5 t80 -71.47 -49.51 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.47 -32.01 73.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.204 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -78.4 -26.15 46.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 55.7 tttm -66.63 -39.94 88.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.196 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.502 ' C ' HD22 ' A' ' 66' ' ' ASN . 0.3 OUTLIER -96.35 12.46 31.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.897 0.379 . . . . 0.0 111.672 -179.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.1 tt -90.62 121.45 68.27 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.16 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 12.5 Cg_exo -71.49 117.8 5.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.241 2.628 . . . . 0.0 112.284 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -103.77 137.06 42.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.046 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.89 -63.61 1.82 Allowed Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -121.93 118.69 29.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.58 150.78 44.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.646 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.478 HH11 ' HB ' ' B' ' 77' ' ' VAL . 22.8 mmm180 -92.48 107.32 19.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.65 142.7 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.564 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 m -125.64 120.93 32.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.749 -175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.33 151.57 40.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.751 ' H ' ' HG2' ' B' ' 90' ' ' GLU . 7.3 p -84.3 134.47 26.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.502 HD12 ' HD2' ' A' ' 79' ' ' PRO . 21.9 tp -173.31 131.83 0.59 Allowed Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HD2' HD12 ' A' ' 78' ' ' LEU . 73.9 Cg_exo -51.36 145.81 26.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.584 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.71 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.924 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -55.77 -42.7 75.9 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.254 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.9 mp0 -71.75 -28.42 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.198 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.518 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -60.29 -24.26 64.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -52.55 -47.64 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.972 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 mt -84.42 -30.37 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.267 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -59.79 -38.76 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.143 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.8 -32.24 70.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.345 . . . . 0.0 110.772 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -77.11 -36.17 55.81 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -70.05 -34.98 73.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.44 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' B' ' 77' ' ' VAL . 13.8 tm-20 -62.68 -36.13 81.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.771 177.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.55 -39.2 77.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.29 -49.29 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.782 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.788 ' HB3' HG13 ' B' ' 77' ' ' VAL . . . -67.56 -29.14 68.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 0.0 110.628 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.06 -34.81 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.49 -17.84 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.393 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -68.9 -10.98 60.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.194 0.521 . . . . 0.0 110.47 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -119.0 -43.82 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.513 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.49 113.98 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.484 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -119.13 109.66 16.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.021 -174.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -102.68 179.11 4.38 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.353 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.381 -0.818 . . . . 0.0 110.575 175.256 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.832 0.348 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.94 91.08 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.231 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -115.71 174.64 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' B' ' 4' ' ' ARG . 9.5 ttm180 -127.85 152.9 47.25 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.671 ' O ' ' HA ' ' B' ' 32' ' ' VAL . 30.6 mt -119.92 158.72 26.11 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.909 0.385 . . . . 0.0 110.632 176.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.7 p -102.88 170.72 7.81 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.07 -31.56 72.0 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.594 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -62.06 -49.32 76.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.836 0.35 . . . . 0.0 110.752 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.67 -32.67 68.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.24 -47.69 81.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.169 0.509 . . . . 0.0 109.958 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -37.29 76.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.781 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.07 -39.43 86.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.85 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.489 ' O ' HD23 ' B' ' 17' ' ' LEU . . . -75.42 -36.07 60.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.144 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.7 pt -93.01 -10.25 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -36.18 -57.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 113.625 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.47 37.48 3.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.675 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 13' ' ' ALA . 3.2 mm? -116.51 139.19 50.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 111.605 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -85.09 83.63 7.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.707 HG23 HD11 ' B' ' 24' ' ' ILE . 4.7 m -120.58 140.96 43.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.584 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 159.97 39.5 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 114.252 -1.34 . . . . 0.0 111.842 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.69 -33.26 64.01 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.213 -0.493 . . . . 0.0 112.186 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -58.81 -48.12 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -32.88 65.34 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.707 HD11 HG23 ' B' ' 19' ' ' VAL . 74.0 mt -68.54 -51.21 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.463 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.36 -29.79 71.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.982 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.451 ' HA ' ' CE1' ' B' ' 40' ' ' PHE . 83.1 mt -71.52 -48.82 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 109.785 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.12 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.582 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.602 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 57.0 ttt85 -64.03 -41.85 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.471 176.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' B' ' 33' ' ' ASP . . . -98.44 5.53 60.66 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.702 -178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.713 HG11 ' HB ' ' B' ' 55' ' ' VAL . 1.5 t -113.12 -52.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 120.54 0.209 . . . . 0.0 111.172 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.463 HD21 HG23 ' B' ' 55' ' ' VAL . 72.5 mt -84.64 -50.52 7.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.118 0.485 . . . . 0.0 110.778 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' B' ' 5' ' ' LEU . 21.2 t -69.37 -26.87 32.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.966 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' HA2' ' B' ' 29' ' ' GLY . 10.2 t70 -89.16 -15.95 32.55 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.34 -172.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.425 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . 111.25 25.78 4.87 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 119.801 -1.19 . . . . 0.0 113.609 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.574 ' N ' ' HD3' ' B' ' 36' ' ' PRO . 53.7 tttm 67.08 56.19 0.82 Allowed Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 123.783 0.833 . . . . 0.0 112.938 172.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.585 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 61.3 Cg_endo -99.62 53.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.51 2.806 . . . . 0.0 111.153 172.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.401 ' NE2' HG11 ' B' ' 55' ' ' VAL . 52.4 mt-30 -55.18 -43.79 74.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.235 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.276 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -69.56 -43.49 72.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.952 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 21.6 t80 -65.77 -41.71 91.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.352 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.417 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -56.34 -55.45 33.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.122 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -68.69 -35.37 77.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.796 0.331 . . . . 0.0 111.287 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -62.03 -47.52 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.939 -175.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.94 -6.69 38.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.74 33.32 34.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.99 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -98.35 153.28 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.847 0.356 . . . . 0.0 110.243 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -73.88 154.43 39.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.454 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -60.68 -44.74 96.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.11 91.63 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.681 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.91 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.691 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' B' ' 41' ' ' ALA . 82.2 t -60.71 -41.98 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.781 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.453 ' HA ' HG12 ' B' ' 55' ' ' VAL . 16.1 m -72.07 -25.18 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.04 -45.95 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.96 94.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.622 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.713 ' HB ' HG11 ' B' ' 30' ' ' VAL . 6.9 p -63.85 -43.49 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.989 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -65.35 -42.37 92.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -61.87 -54.07 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 68.8 t -69.02 -40.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -63.6 -43.01 98.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.919 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.56 84.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.892 0.377 . . . . 0.0 110.414 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' B' ' 65' ' ' LYS . . . -63.64 -35.91 82.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 177.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -71.14 -50.62 31.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.503 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.08 -40.74 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.601 -175.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -76.5 -18.1 58.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.107 0.48 . . . . 0.0 110.915 -176.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' B' ' 61' ' ' ALA . 63.2 tttm -70.33 -32.47 70.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 109.754 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.413 ' C ' HD22 ' B' ' 66' ' ' ASN . 0.3 OUTLIER -117.65 44.53 2.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.693 176.571 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' B' ' 68' ' ' PRO . 5.3 tt -113.58 110.0 50.31 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.158 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . 0.581 ' HB2' ' HB2' ' B' ' 72' ' ' ALA . 9.3 Cg_exo -71.35 126.77 12.59 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.919 2.413 . . . . 0.0 112.387 -178.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -112.53 139.04 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.84 -65.85 3.68 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.803 -176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.78 118.64 32.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 68' ' ' PRO . . . -151.16 157.24 42.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.893 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 89.5 mtt-85 -92.69 112.39 24.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 m -85.35 127.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.13 0.49 . . . . 0.0 110.195 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -121.02 119.23 31.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.98 169.31 24.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.926 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.788 HG13 ' HB3' ' A' ' 93' ' ' ALA . 14.5 p -88.78 137.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -165.64 132.81 2.23 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -172.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 93' ' ' ALA . 54.1 Cg_exo -52.96 137.9 61.58 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.181 2.587 . . . . 0.0 112.794 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.2 OUTLIER -62.42 -29.66 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.307 -169.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -63.66 -49.49 72.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.683 0.277 . . . . 0.0 110.918 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.401 ' O ' HG23 ' B' ' 86' ' ' VAL . 1.2 mp0 -72.05 -29.51 64.23 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -66.1 -24.68 66.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.419 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -53.07 -50.6 64.05 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.396 0.617 . . . . 0.0 109.692 172.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.433 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.1 mt -70.74 -32.35 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.931 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 82' ' ' GLN . 98.9 t -65.12 -42.3 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.733 176.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -70.21 -23.29 62.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -77.08 -37.94 53.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.58 ' HA ' ' HB3' ' B' ' 92' ' ' ASP . 26.3 m0 -68.2 -20.12 64.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.634 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.751 ' HG2' ' H ' ' A' ' 77' ' ' VAL . 8.1 tm-20 -61.86 -43.11 99.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -28.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.409 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' B' ' 89' ' ' TRP . 13.5 t70 -67.84 -48.38 66.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.603 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' B' ' 96' ' ' LYS . . . -66.66 -29.8 69.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.017 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.25 -35.01 77.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.08 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.447 ' HA ' ' HB3' ' B' ' 98' ' ' GLU . 38.6 ttpt -67.94 -15.62 63.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.969 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' B' ' 93' ' ' ALA . 14.3 mptt -65.03 -21.3 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.027 0.442 . . . . 0.0 110.734 175.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -109.36 5.19 23.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.251 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.514 ' CD ' ' HE3' ' B' ' 100' ' ' LYS . 36.7 tt0 -96.7 138.73 33.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.3 -176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -133.51 88.57 2.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.983 0.421 . . . . 0.0 111.368 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.514 ' HE3' ' CD ' ' B' ' 98' ' ' GLU . 92.2 mttt -96.07 165.23 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.378 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.298 173.479 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -97.24 172.56 7.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.536 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.549 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 3.8 mptp? -93.38 170.93 9.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.175 0.512 . . . . 0.0 111.839 -171.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 1.7 mpp_? -98.18 157.45 16.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.665 175.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.0 tp -103.1 147.64 26.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -173.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -94.1 156.01 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 119.613 -0.232 . . . . 0.0 111.055 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -50.93 -45.28 60.48 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.3 t -60.28 -53.51 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.592 0.234 . . . . 0.0 110.851 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -61.34 -39.5 90.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.225 0.536 . . . . 0.0 109.954 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.3 t80 -59.32 -48.26 82.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.046 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -68.87 -41.83 77.83 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.68 -38.56 87.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.141 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.54 74.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 10' ' ' PHE . 31.1 pt -72.34 -29.14 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.857 0.361 . . . . 0.0 111.757 -177.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.58 102.14 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.297 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.48 -20.11 5.56 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.486 -176.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.97 132.48 46.36 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.62 84.4 5.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 0.0 109.776 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.5 m -120.9 143.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.736 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.93 145.07 47.57 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.122 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 64.0 tt0 -54.27 -39.95 67.35 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.505 0.322 . . . . 0.0 111.187 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.614 ' O ' HG13 ' A' ' 26' ' ' ILE . 69.0 mt-30 -60.37 -42.5 95.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.313 -0.155 . . . . 0.0 110.898 178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -59.4 -41.41 89.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.479 0.657 . . . . 0.0 109.929 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.57 -47.71 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.765 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 21' ' ' GLN . 18.2 mm-40 -60.44 -31.26 70.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.622 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.662 HG21 ' HA ' ' A' ' 51' ' ' VAL . 81.4 mt -67.81 -50.89 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -65.64 -26.79 67.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.84 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 51.6 ttt85 -58.73 -28.6 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.742 177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' A' ' 33' ' ' ASP . . . -107.02 -42.73 1.49 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.675 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 23.1 t -69.83 -28.23 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 C-N-CA 123.005 0.522 . . . . 0.0 111.76 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.686 HD21 HG23 ' A' ' 55' ' ' VAL . 37.9 mt -110.72 -33.58 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 12.0 t -97.58 -29.5 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 36.4 t70 -92.95 -8.73 42.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.108 0.48 . . . . 0.0 111.347 -171.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' HG2' ' A' ' 4' ' ' ARG . . . 112.64 17.54 7.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.881 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 48.1 tttm 68.0 70.25 0.44 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 166.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.75 -15.27 13.57 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.137 2.558 . . . . 0.0 112.079 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 60.32 -113.02 0.57 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.07 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.94 -28.46 67.49 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -169.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -59.22 -34.73 72.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.979 0.419 . . . . 0.0 110.719 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 34.3 t80 -68.8 -40.96 79.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.861 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.811 ' HB2' HG21 ' A' ' 51' ' ' VAL . . . -60.96 -53.53 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -59.43 -35.26 73.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.218 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -67.92 -52.07 40.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.395 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.81 -9.83 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.62 14.73 64.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.837 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 HD13 HD11 ' A' ' 26' ' ' ILE . 71.4 mt -78.34 157.65 29.07 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.6 p -84.7 154.87 22.2 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.689 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.249 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -45.0 94.53 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.781 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.9 81.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.532 0.206 . . . . 0.0 110.81 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.811 HG21 ' HB2' ' A' ' 41' ' ' ALA . 55.8 t -57.51 -44.13 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.627 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 m -71.84 -26.87 62.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.162 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -71.26 -41.38 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.125 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.86 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.957 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.686 HG23 HD21 ' A' ' 31' ' ' LEU . 5.4 p -61.63 -42.42 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -66.25 -47.62 73.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.616 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -60.41 -56.46 21.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.099 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.62 -43.45 93.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.668 -175.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -63.69 -43.72 95.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.426 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.28 68.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.196 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 65' ' ' LYS . . . -63.03 -50.17 71.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -69.76 -40.08 76.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.805 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -59.49 -40.14 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.805 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.33 -35.01 41.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 45.5 tttp -66.71 -12.22 57.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.145 -173.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 45.1 t30 -78.32 -19.22 53.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 11.0 mp 68.8 116.36 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.623 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 -175.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 67' ' ' LEU . 2.6 Cg_exo -76.24 -6.14 16.92 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.157 2.571 . . . . 0.0 113.951 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -129.74 144.1 51.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.188 0.518 . . . . 0.0 111.569 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.72 39.91 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.497 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -134.09 171.36 14.32 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.88 150.54 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' HG2' HG22 ' B' ' 77' ' ' VAL . 31.7 mtm180 -108.27 105.79 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG11 ' HB1' ' B' ' 83' ' ' ALA . 31.5 m -96.14 126.66 48.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.552 0.691 . . . . 0.0 112.004 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -103.21 114.71 29.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.254 173.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HA ' ' OE2' ' B' ' 90' ' ' GLU . . . -124.5 159.88 29.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.746 -176.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.736 ' H ' ' HG3' ' B' ' 90' ' ' GLU . 45.0 t -78.21 112.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.561 ' HB2' HG22 ' B' ' 74' ' ' VAL . 75.2 mt -155.63 127.6 3.89 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HG3' ' CD2' ' B' ' 71' ' ' TYR . 53.2 Cg_exo -51.76 140.62 46.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.818 2.345 . . . . 0.0 112.204 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.69 -29.88 29.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.23 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -59.29 -32.64 70.22 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -72.94 -27.16 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.691 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -58.49 -23.87 59.02 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.384 -177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.11 -48.27 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.297 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -85.72 -31.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.616 -179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 76.3 t -56.8 -47.35 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.151 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 90' ' ' GLU . 29.6 ttp180 -67.19 -21.09 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.202 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.98 -39.09 72.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.172 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 86' ' ' VAL . 10.3 m0 -75.11 -36.06 61.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.765 175.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.573 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 32.6 tt0 -58.23 -47.53 83.24 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.115 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.83 71.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.655 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -70.27 -40.69 74.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.27 -36.79 74.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.498 ' HD2' ' O ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -71.89 -30.47 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.608 ' HD2' ' H ' ' A' ' 101' ' ' ARG . 34.1 ttpt -62.85 -19.78 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.857 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' HB2' ' HE2' ' A' ' 96' ' ' LYS . 8.6 tppt? -60.46 -29.1 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.082 0.467 . . . . 0.0 110.355 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -91.22 -6.45 53.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -117.73 11.14 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.711 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m 72.02 -69.98 0.17 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.271 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 101' ' ' ARG . 72.3 tttt -160.31 146.7 15.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.755 0.312 . . . . 0.0 110.435 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.608 ' H ' ' HD2' ' A' ' 95' ' ' LYS . 44.9 mtt180 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.36 -0.828 . . . . 0.0 109.524 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.058 0.456 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -86.59 170.1 12.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.726 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -99.62 172.31 7.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.444 ' HG2' ' HA2' ' B' ' 34' ' ' GLY . 0.4 OUTLIER -99.02 166.95 11.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.312 0.577 . . . . 0.0 110.829 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.786 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 19.0 tp -125.44 158.64 33.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.432 -172.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.4 p -96.61 157.61 15.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.602 ' HG3' HG11 ' B' ' 32' ' ' VAL . 44.5 mt-10 -67.02 -21.09 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -67.53 -44.97 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.154 0.502 . . . . 0.0 110.057 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.5 ' HB3' ' CE1' ' B' ' 62' ' ' PHE . 17.1 mm-40 -77.76 -31.85 52.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.977 177.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' B' ' 7' ' ' GLU . 51.7 t80 -56.6 -45.65 81.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.268 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.78 -44.29 86.12 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.592 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.68 -41.85 98.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' B' ' 62' ' ' PHE . . . -61.01 -41.69 97.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.476 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 34.5 pt -84.51 -28.72 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.73 106.92 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.363 0.601 . . . . 0.0 111.0 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.35 -17.06 7.98 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.58 159.04 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.043 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.0 86.66 2.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.547 HG23 HD11 ' B' ' 24' ' ' ILE . 8.8 m -120.2 131.98 71.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.441 0.639 . . . . 0.0 111.227 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.69 139.95 37.79 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.516 177.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.546 ' HA ' ' HB ' ' B' ' 24' ' ' ILE . 63.7 tt0 -62.89 -23.22 67.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 -178.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.86 -50.78 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.387 . . . . 0.0 110.134 175.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.41 69.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.547 HD11 HG23 ' B' ' 19' ' ' VAL . 68.7 mt -61.28 -44.73 98.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.431 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.58 -28.14 69.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.708 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.589 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 68.2 mt -68.48 -50.94 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.416 ' HB1' HD12 ' B' ' 31' ' ' LEU . . . -67.27 -28.0 67.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.529 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -62.31 -37.48 85.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.41 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -106.84 -0.62 36.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.415 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' B' ' 26' ' ' ILE . 2.3 t -112.31 -52.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.809 -0.23 . . . . 0.0 110.873 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.423 ' CD2' HG23 ' B' ' 55' ' ' VAL . 18.6 mt -78.95 -34.33 44.48 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 122.123 -0.36 . . . . 0.0 111.574 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.602 HG11 ' HG3' ' B' ' 7' ' ' GLU . 21.8 t -95.79 -14.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.913 0.387 . . . . 0.0 112.02 -174.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 34.0 t70 -108.91 10.47 26.4 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.198 0.523 . . . . 0.0 112.319 -170.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' B' ' 4' ' ' ARG . . . 110.14 -3.97 30.04 Favored Glycine 0 C--N 1.323 -0.159 0 C-N-CA 119.648 -1.263 . . . . 0.0 113.845 173.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' B' ' 30' ' ' VAL . 62.0 tttm 69.73 63.37 0.53 Allowed Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 123.02 0.528 . . . . 0.0 111.95 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' HA ' ' B' ' 30' ' ' VAL . 81.2 Cg_endo -83.39 -36.16 0.22 Allowed 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.233 1.955 . . . . 0.0 112.255 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 68.2 -72.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.785 0.834 . . . . 0.0 112.863 172.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.67 89.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -171.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' B' ' 36' ' ' PRO . 9.3 p -64.38 -40.77 96.47 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.316 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' B' ' 26' ' ' ILE . 27.5 t80 -67.1 -41.74 85.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' B' ' 51' ' ' VAL . . . -59.0 -45.52 90.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.804 177.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -70.45 -31.65 68.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -67.81 -52.89 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.451 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.25 -1.61 55.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.22 45.15 32.19 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.548 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' B' ' 41' ' ' ALA . 87.4 mt -99.48 159.39 15.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.164 0.507 . . . . 0.0 110.718 -176.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 3.2 m -77.58 155.05 31.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.873 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -59.33 -40.74 87.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.027 0.441 . . . . 0.0 110.072 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.87 78.31 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.288 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.85 91.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 111.238 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' B' ' 41' ' ' ALA . 75.8 t -63.65 -47.03 93.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.642 ' HA ' HG12 ' B' ' 55' ' ' VAL . 59.3 m -66.18 -28.48 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.608 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' B' ' 57' ' ' ARG . 35.5 tt0 -65.13 -43.38 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.867 0.365 . . . . 0.0 110.301 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.12 -40.61 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.676 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' B' ' 52' ' ' SER . 7.1 p -66.71 -39.87 84.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -66.15 -44.56 83.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.749 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' B' ' 53' ' ' GLN . 0.1 OUTLIER -64.52 -57.3 9.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.961 -174.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.57 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.404 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.786 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 48.0 t-105 -67.13 -42.97 83.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.547 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.32 75.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' B' ' 65' ' ' LYS . . . -64.75 -46.64 81.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.506 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.521 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . 70.2 t80 -65.42 -38.92 91.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.979 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.66 -39.64 77.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 110.146 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -79.58 -31.96 41.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.395 0.617 . . . . 0.0 110.297 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' B' ' 61' ' ' ALA . 10.2 tptp -76.61 -5.77 49.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.17 -13.22 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp 66.81 101.59 0.04 OUTLIER Pre-proline 0 N--CA 1.471 0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.805 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.02 -6.9 3.3 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.807 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.13 116.95 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.827 0.346 . . . . 0.0 110.826 -174.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.56 31.53 0.22 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.453 ' CD2' ' HG3' ' A' ' 79' ' ' PRO . 90.9 m-85 -133.17 153.6 51.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.38 167.38 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 77' ' ' VAL . 77.8 mtm180 -103.91 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 78' ' ' LEU . 27.3 m -87.99 143.06 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.138 0.494 . . . . 0.0 111.211 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.0 m -103.96 128.35 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.854 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' OE2' ' A' ' 90' ' ' GLU . . . -136.8 139.92 42.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.553 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.573 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.2 t -77.95 121.07 29.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.547 HD12 ' HD2' ' B' ' 79' ' ' PRO . 45.6 tp -169.61 126.7 0.79 Allowed Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' B' ' 78' ' ' LEU . 53.1 Cg_exo -56.56 146.54 74.9 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.928 2.419 . . . . 0.0 112.225 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . 0.785 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -60.23 -19.9 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.876 -172.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -56.07 -58.64 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -73.54 -30.79 63.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.785 ' HB3' ' HA ' ' B' ' 80' ' ' GLU . . . -63.02 -23.51 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.413 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -52.46 -46.9 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.428 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.45 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.9 mt -75.65 -33.15 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 -177.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.5 ' HA ' ' CE3' ' B' ' 89' ' ' TRP . 60.6 t -63.28 -32.31 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 87' ' ' ARG . 19.2 ttt180 -62.81 -36.33 82.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.187 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.14 -42.9 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.216 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' B' ' 86' ' ' VAL . 22.3 m0 -64.83 -31.49 72.74 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.736 ' HG3' ' H ' ' A' ' 77' ' ' VAL . 34.1 tt0 -61.63 -50.51 72.27 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 110.255 174.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.12 73.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.97 -44.82 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.065 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.1 74.52 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -72.64 -39.75 66.94 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.662 ' HG3' ' H ' ' B' ' 101' ' ' ARG . 38.1 ttpt -55.41 -36.9 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.955 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -57.52 -32.63 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.816 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -96.27 -37.58 10.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.009 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.71 30.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.458 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 28.5 m 71.6 -73.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.567 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.591 ' HA ' ' HG3' ' B' ' 95' ' ' LYS . 87.3 tttt -166.07 136.13 3.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 120.7 0.286 . . . . 0.0 110.576 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.662 ' H ' ' HG3' ' B' ' 95' ' ' LYS . 93.0 mtt180 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.636 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -84.41 107.73 16.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.826 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -90.36 166.26 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.25 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.727 ' HE ' ' HA3' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -109.44 159.78 16.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 0.0 110.331 -177.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 4.2 tp -125.92 150.57 47.86 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.444 -175.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 165.58 14.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.64 -27.54 68.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.794 0.331 . . . . 0.0 111.553 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -51.99 66.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.726 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 12.1 mt-30 -78.19 -22.83 48.03 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.984 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 14' ' ' ILE . 6.5 t80 -63.95 -44.13 93.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -67.91 -31.34 71.05 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.04 -37.11 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.802 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.19 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.757 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 10' ' ' PHE . 30.3 pt -75.63 -41.36 41.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.912 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 44.46 -106.2 0.1 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.937 0.895 . . . . 0.0 112.711 175.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 15' ' ' GLN . . . -126.83 30.64 4.13 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -67.16 152.07 46.41 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.801 0.441 . . . . 0.0 110.726 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 84.39 7.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.601 . . . . 0.0 109.856 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.434 HG11 ' HG2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -137.99 141.4 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.56 146.11 43.26 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.779 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.599 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -65.72 -21.02 66.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.81 -44.51 89.66 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.761 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.56 -35.69 77.76 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 177.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 21' ' ' GLN . 67.2 mt -64.87 -39.78 86.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.979 0.418 . . . . 0.0 110.467 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.21 -26.08 64.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.565 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 23' ' ' THR . 53.0 mt -68.04 -50.32 59.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.7 66.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.595 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 2.8 ttm180 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.626 175.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.15 -16.2 33.44 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.576 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 1.1 t -96.89 -46.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.763 0.316 . . . . 0.0 110.71 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.582 HD13 HG23 ' A' ' 55' ' ' VAL . 10.2 tp -95.98 -46.46 6.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.551 -175.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.595 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 61.1 t -69.32 -45.58 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.67 -33.65 46.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.079 0.466 . . . . 0.0 110.273 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.727 ' HA3' ' HE ' ' A' ' 4' ' ' ARG . . . 87.02 51.13 3.46 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.101 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 14.8 mttp -109.96 148.94 39.29 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.195 . . . . 0.0 110.998 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 27.9 Cg_exo -62.32 140.04 80.58 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.758 2.305 . . . . 0.0 111.905 176.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.63 -32.41 67.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.025 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.45 98.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.601 -178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.474 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -33.39 75.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.223 -175.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -62.76 -55.7 24.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -71.06 -26.44 63.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -71.94 -36.6 69.96 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -95.4 -7.05 39.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.691 0.281 . . . . 0.0 111.461 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.67 70.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.884 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.5 169.96 10.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 p -83.5 155.44 23.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' H ' ' HG2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -65.64 -27.61 68.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.624 0.249 . . . . 0.0 110.494 176.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 -42.02 72.35 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.861 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.22 74.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.553 ' HA ' HG21 ' A' ' 26' ' ' ILE . 55.7 t -69.72 -42.03 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -72.11 -22.41 61.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -70.38 -34.31 72.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.744 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -71.47 -44.16 65.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.677 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.582 HG23 HD13 ' A' ' 31' ' ' LEU . 2.9 p -67.22 -37.37 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -49.65 68.19 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.996 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG2' HG11 ' A' ' 19' ' ' VAL . 7.7 tpt85 -64.42 -49.24 72.3 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.56 -44.41 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.251 0.344 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.503 ' CE3' HD11 ' A' ' 31' ' ' LEU . 27.7 t-105 -61.06 -47.3 86.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.441 177.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.47 71.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.27 77.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.511 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -66.45 -40.33 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.608 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.69 -34.34 71.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.57 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.42 -40.56 85.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -11.39 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.992 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.88 19.17 20.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.22 96.36 38.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -91.42 23.67 0.6 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.334 2.689 . . . . 0.0 112.202 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tt0 -133.04 -158.97 0.93 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.223 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.34 31.5 3.25 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 6.8 m-85 -112.72 119.33 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -177.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.61 163.77 27.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.956 0.408 . . . . 0.0 110.713 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -127.62 125.24 39.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' B' ' 83' ' ' ALA . 10.3 m -86.15 133.26 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.21 0.529 . . . . 0.0 111.107 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.78 112.9 13.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.317 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.21 159.34 42.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.983 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -82.12 109.04 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' B' ' 93' ' ' ALA . 0.2 OUTLIER -160.34 144.9 10.75 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -177.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.497 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 30.8 Cg_endo -64.01 155.45 64.46 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.431 2.087 . . . . 0.0 112.956 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -19.82 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.652 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -39.2 86.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.176 0.513 . . . . 0.0 110.227 174.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -26.75 61.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.312 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -59.42 -23.08 62.35 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.829 0.451 . . . . 0.0 112.213 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -52.68 -47.08 67.43 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.478 0.486 . . . . 0.0 110.489 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.91 -27.75 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.072 -178.393 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.02 -36.97 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.692 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -30.59 67.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.922 0.392 . . . . 0.0 110.732 176.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -35.97 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 175.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -75.26 -22.12 58.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.941 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.911 ' HB2' ' HB1' ' B' ' 76' ' ' ALA . 0.4 OUTLIER -65.89 -43.86 87.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.167 0.508 . . . . 0.0 109.821 176.298 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.03 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.828 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.0 -31.52 44.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' B' ' 79' ' ' PRO . . . -70.52 -39.75 73.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 175.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -24.91 64.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.926 176.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.508 ' HA ' ' HB2' ' A' ' 98' ' ' GLU . 1.7 ttpm? -71.98 -21.28 61.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.548 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.903 0.382 . . . . 0.0 110.813 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.23 5.51 23.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . 4.1 tt0 -90.16 141.48 28.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.686 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.83 79.75 9.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.75 175.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -75.36 100.28 4.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.238 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 . . . . . 0 C--O 1.246 0.888 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.535 177.269 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.485 0.66 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.25 125.95 52.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.422 -178.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.11 128.75 36.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.227 177.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.717 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -111.19 174.31 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.971 -178.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 9' ' ' GLN . 3.6 tp -121.08 156.96 31.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.59 164.08 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HG3' HG11 ' B' ' 32' ' ' VAL . 4.0 mp0 -66.49 -29.34 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.644 0.259 . . . . 0.0 110.91 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.91 86.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.598 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.514 ' HB3' ' HG ' ' B' ' 5' ' ' LEU . 1.5 mp0 -78.31 -25.78 46.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.015 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.413 ' O ' HG12 ' B' ' 14' ' ' ILE . 67.2 t80 -64.55 -47.27 79.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 174.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -26.66 65.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.024 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.56 -38.75 74.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.677 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.45 -45.94 64.82 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.492 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.413 HG12 ' O ' ' B' ' 10' ' ' PHE . 10.0 pt -78.14 -37.54 22.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.525 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' H ' ' B' ' 16' ' ' GLY . 0.5 OUTLIER 39.52 -111.24 0.11 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.275 1.03 . . . . 0.0 112.819 178.254 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' B' ' 15' ' ' GLN . . . -119.67 35.94 3.66 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 176.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 17' ' ' LEU . 2.5 mm? -80.87 166.82 20.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -93.78 84.73 4.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.15 0.5 . . . . 0.0 110.21 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.27 132.39 71.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.016 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.85 136.37 41.09 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.113 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' B' ' 24' ' ' ILE . 2.4 tt0 -67.62 -18.11 64.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.32 -46.79 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.669 ' HA ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -67.13 -32.89 74.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.921 176.352 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' B' ' 21' ' ' GLN . 90.2 mt -64.67 -37.03 79.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.434 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.73 -30.04 63.84 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.636 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' B' ' 23' ' ' THR . 18.9 mt -71.43 -49.85 44.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.27 -19.52 65.84 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.595 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 2.2 ttm-85 -62.04 -29.7 70.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.107 176.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.67 -38.17 1.94 Allowed Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.018 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' B' ' 55' ' ' VAL . 2.4 t -73.68 -41.27 55.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.825 0.45 . . . . 0.0 111.358 -175.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.536 HD11 ' HE3' ' B' ' 59' ' ' TRP . 1.3 tt -94.24 -45.96 7.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.461 -176.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 88.4 t -71.32 -54.99 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.391 -178.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.45 -20.41 36.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.116 0.484 . . . . 0.0 110.391 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.717 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 78.23 48.02 7.84 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.667 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.07 138.98 27.23 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.703 -0.249 . . . . 0.0 110.849 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.24 134.31 58.29 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.248 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -71.74 -27.59 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.79 -172.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -45.17 79.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.398 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -41.89 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.41 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -33.52 75.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.547 -177.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.522 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.9 -50.47 68.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.255 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -31.53 68.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.8 m -71.76 -39.83 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.419 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.69 -22.02 28.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.85 24.17 42.88 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.93 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.87 170.73 7.95 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.1 155.51 34.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -67.39 -33.68 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.36 . . . . 0.0 110.603 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.16 -35.9 78.71 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.365 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.5 75.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.573 ' HA ' HG21 ' B' ' 26' ' ' ILE . 76.4 t -68.8 -40.66 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 52.0 m -73.85 -21.51 60.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -33.29 72.09 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.86 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.685 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.457 ' HB ' ' CG1' ' B' ' 30' ' ' VAL . 9.9 p -66.99 -36.63 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -39.54 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.887 178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -53.06 10.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.404 ' HB ' HD13 ' B' ' 31' ' ' LEU . 79.3 t -66.85 -37.67 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.687 0.28 . . . . 0.0 110.803 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.536 ' HE3' HD11 ' B' ' 31' ' ' LEU . 23.6 t-105 -63.03 -41.07 99.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 175.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.64 70.85 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.371 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.79 -38.07 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.651 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.43 -38.33 77.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.823 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.13 -37.96 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.126 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' B' ' 67' ' ' LEU . 5.3 t70 -67.54 -38.29 83.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.816 177.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -38.26 84.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.54 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.09 46.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.221 0.534 . . . . 0.0 110.603 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 64' ' ' ASP . 0.2 OUTLIER -103.98 101.81 27.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.987 176.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.73 -37.79 2.07 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.898 2.399 . . . . 0.0 112.637 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -103.41 87.18 2.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.584 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.74 -5.06 57.78 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -99.0 158.08 15.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.944 -0.628 . . . . 0.0 110.319 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.89 167.28 24.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 118.96 28.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.981 0.419 . . . . 0.0 110.385 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 83' ' ' ALA . 16.5 m -86.38 135.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.695 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -132.5 124.58 28.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.911 ' HB1' ' HB2' ' A' ' 90' ' ' GLU . . . -152.31 168.1 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.085 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.743 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 12.4 t -86.55 109.81 19.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.477 ' HB2' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -157.01 142.26 12.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.419 -179.126 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 93' ' ' ALA . 23.5 Cg_exo -65.39 155.96 65.9 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.666 2.244 . . . . 0.0 112.802 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -18.75 63.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.225 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -62.68 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.218 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.416 ' O ' HG23 ' B' ' 86' ' ' VAL . 5.1 mp0 -72.67 -27.96 62.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.86 176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.525 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -63.76 -22.07 66.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.138 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.45 -44.77 65.72 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.199 173.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.416 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.89 -31.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.211 -178.028 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 82' ' ' GLN . 13.6 t -68.47 -34.52 66.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.912 0.387 . . . . 0.0 110.983 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtm105 -70.01 -27.46 64.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -35.31 65.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 174.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -72.79 -18.04 61.52 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.417 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.44 -46.33 80.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.372 0.606 . . . . 0.0 111.291 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.59 -29.44 65.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.147 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' B' ' 95' ' ' LYS . 0.1 OUTLIER -75.68 -26.19 57.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.497 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.511 174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -74.62 -28.35 60.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.495 ' HG2' ' HB2' ' B' ' 100' ' ' LYS . 39.2 mtpt -69.86 -11.02 60.55 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.008 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -22.29 56.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.13 0.49 . . . . 0.0 110.598 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -110.14 -38.37 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.433 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.51 176.4 6.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.659 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.25 98.85 5.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.065 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.495 ' HB2' ' HG2' ' B' ' 95' ' ' LYS . 0.0 OUTLIER -79.02 116.22 19.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.635 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.637 176.41 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.06 0.457 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.46 158.31 41.18 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -67.1 149.69 50.2 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.379 0.424 . . . . 0.0 110.043 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.624 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 66.7 mtt180 -94.65 151.94 18.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.087 0.47 . . . . 0.0 110.698 -175.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 5' ' ' LEU . 2.8 tp -117.72 148.93 41.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.58 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.93 162.78 18.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 172.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -61.71 -32.23 72.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 123.213 0.321 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -36.75 73.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -78.01 -36.42 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.672 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE1' HG11 ' A' ' 58' ' ' VAL . 76.2 t80 -66.34 -45.63 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.83 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -67.64 -26.27 66.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.4 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -32.77 68.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.75 -47.36 26.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.446 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.88 -8.77 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -173.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 1.7 tm0? -68.55 -34.15 75.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.83 7.98 76.66 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.85 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -120.2 158.2 27.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.353 -176.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.85 85.28 2.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.225 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.51 169.57 11.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.517 177.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.68 141.94 48.13 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.617 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -25.73 66.66 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -176.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -66.4 -42.85 87.21 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.756 HG22 ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -68.44 -37.05 79.88 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.52 -41.85 89.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.906 0.384 . . . . 0.0 110.414 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -66.82 -25.62 66.53 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 23' ' ' THR . 48.5 mt -66.48 -50.77 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' A' ' 31' ' ' LEU . . . -70.38 -20.06 62.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.363 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 5.6 ttp180 -64.72 -29.82 70.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.101 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . -108.13 -22.79 7.01 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.184 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.811 HG11 HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -82.57 -42.65 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.842 0.353 . . . . 0.0 111.009 -176.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 64.8 mt -95.24 -47.47 6.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.518 -177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 44.2 t -64.5 -43.35 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 120.77 0.319 . . . . 0.0 111.589 -177.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.15 -18.09 29.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.018 0.437 . . . . 0.0 110.496 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.624 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 74.81 46.17 18.76 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.93 -178.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -99.91 149.93 36.4 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.483 -0.358 . . . . 0.0 110.72 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 24.6 Cg_exo -64.29 144.13 85.29 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.711 2.274 . . . . 0.0 112.206 176.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.857 ' HG2' HG21 ' A' ' 55' ' ' VAL . 2.1 mp0 -72.99 -29.59 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.475 -175.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.34 84.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.416 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.87 -46.37 89.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -33.77 72.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.791 -173.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.775 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -67.08 -52.69 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.553 -176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -26.11 59.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.148 -176.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.0 m -73.72 -41.27 62.79 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mp -84.34 -18.55 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.94 0.4 . . . . 0.0 111.18 -176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.99 19.22 56.44 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.403 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.66 176.23 6.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.0 154.95 24.22 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.25 81.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.618 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -68.65 -26.41 74.47 Favored Glycine 0 N--CA 1.45 -0.408 0 O-C-N 123.885 0.741 . . . . 0.0 113.396 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.79 59.52 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.878 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.775 HG21 ' HA ' ' A' ' 41' ' ' ALA . 44.0 t -71.79 -41.44 70.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.662 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 p -69.32 -28.54 66.34 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.749 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 2.1 tm0? -65.73 -38.71 89.9 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.851 177.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.756 ' HB2' HG22 ' A' ' 23' ' ' THR . . . -64.83 -35.32 80.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.857 HG21 ' HG2' ' A' ' 37' ' ' GLN . 10.7 t -59.92 -52.32 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -35.09 79.5 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.198 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -57.77 -52.57 64.9 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.879 0.472 . . . . 0.0 111.668 -177.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.4 t -78.21 -35.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.779 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -65.48 -41.13 93.64 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.77 75.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.62 0.248 . . . . 0.0 111.073 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.605 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -65.42 -41.4 93.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.348 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.48 -31.26 71.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.685 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -33.46 65.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.19 0.519 . . . . 0.0 110.303 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -83.56 2.54 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.688 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.14 26.88 8.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.344 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.12 99.38 50.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.524 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -87.32 159.5 8.25 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.241 2.627 . . . . 0.0 112.678 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.59 117.78 34.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.503 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.45 -57.75 2.7 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' HB3' HE22 ' A' ' 97' ' ' GLN . 5.1 p90 -113.26 135.96 53.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.615 0.245 . . . . 0.0 110.554 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.9 39.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.159 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' B' ' 77' ' ' VAL . 17.1 mtm180 -82.82 105.95 14.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' B' ' 83' ' ' ALA . 33.2 m -92.39 140.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.243 0.544 . . . . 0.0 111.161 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.91 126.45 47.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.81 157.94 44.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.034 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -79.05 110.14 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.649 ' HG ' ' HB2' ' B' ' 93' ' ' ALA . 0.2 OUTLIER -150.32 142.59 15.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -177.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.828 ' HD3' ' HB1' ' B' ' 93' ' ' ALA . 15.1 Cg_exo -67.96 160.86 46.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.471 2.114 . . . . 0.0 112.625 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.73 -20.25 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -44.0 91.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.042 0.449 . . . . 0.0 109.936 172.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -26.6 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.996 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . . . -61.11 -23.14 65.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.125 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -54.62 -46.89 73.95 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.257 0.551 . . . . 0.0 110.249 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.16 -30.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.802 -178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 83' ' ' ALA . 89.5 t -66.01 -33.86 66.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -63.23 -38.08 89.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.74 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -76.19 -32.99 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.708 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -69.36 -26.86 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.147 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.57 -43.91 95.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.01 72.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.007 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.22 -38.41 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.801 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.708 ' HB1' ' HD3' ' B' ' 79' ' ' PRO . . . -64.99 -38.13 89.96 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.585 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -71.3 -36.33 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.261 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -9.21 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.608 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.16 -16.81 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.344 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.51 HE22 ' HB3' ' A' ' 71' ' ' TYR . 33.9 mt-30 -113.3 -21.57 10.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.377 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.17 141.93 28.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.526 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m 55.17 59.46 3.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.922 0.868 . . . . 0.0 111.343 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 100' ' ' LYS . 19.4 mmtm -118.66 101.42 8.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 101' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.705 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.487 ' HG2' ' HA ' ' B' ' 36' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' B' ' 2' ' ' LYS . 6.4 tptt 68.86 178.34 0.25 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.187 0.929 . . . . 0.0 111.174 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -81.19 123.89 28.82 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.641 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 0.1 OUTLIER -95.86 164.39 12.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.064 0.459 . . . . 0.0 111.335 -173.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tp -137.69 164.83 27.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.56 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.7 p -95.4 165.38 12.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -32.18 73.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 111.093 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.68 80.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -75.16 -31.46 61.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -62.62 -47.68 82.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -68.98 -26.61 65.12 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.762 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.65 -33.01 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.061 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.87 -39.48 61.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.83 8.26 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -58.88 2.02 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.138 0.975 . . . . 0.0 113.351 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.84 20.15 29.57 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -95.19 92.11 6.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.256 0.551 . . . . 0.0 110.602 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.75 84.45 5.86 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.95 0.881 . . . . 0.0 109.928 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.03 -163.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.005 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.33 130.49 23.9 Favored Glycine 0 C--N 1.316 -0.54 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.603 ' HA ' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -73.07 -20.35 60.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.172 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -36.02 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.496 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.825 HG22 ' HB2' ' B' ' 54' ' ' ALA . 0.0 OUTLIER -68.63 -35.69 77.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.511 174.114 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 21' ' ' GLN . 58.2 mt -67.68 -35.33 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.996 0.427 . . . . 0.0 109.939 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.21 -27.19 67.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.213 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' B' ' 23' ' ' THR . 51.8 mt -65.76 -49.97 73.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.62 -23.3 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.717 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.593 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 8.8 ttt180 -66.37 -30.01 70.3 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.214 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.34 -38.99 2.91 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.017 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.851 HG11 HG22 ' B' ' 55' ' ' VAL . 1.3 t -70.0 -43.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 122.948 0.499 . . . . 0.0 111.551 -175.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.495 ' HG ' HG12 ' B' ' 30' ' ' VAL . 83.8 mt -98.0 -47.26 5.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.637 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.593 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 57.8 t -67.12 -48.92 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.432 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -83.46 -27.23 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 110.283 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.641 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 84.22 43.87 6.87 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.714 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.514 ' HE3' ' HD2' ' B' ' 36' ' ' PRO . 15.5 mmmt -93.43 145.27 29.68 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.287 . . . . 0.0 111.67 -175.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' HE3' ' B' ' 35' ' ' LYS . 10.6 Cg_endo -55.83 137.04 77.42 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.515 2.81 . . . . 0.0 112.734 174.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.624 ' HG2' HG21 ' B' ' 55' ' ' VAL . 2.7 mp0 -76.82 -26.94 54.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.993 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.23 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.564 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -37.0 82.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.24 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.482 ' CE1' ' HA ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -66.35 -34.06 77.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.147 -177.593 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.669 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.63 -44.7 93.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.18 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -34.47 75.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.718 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.0 m -70.33 -44.64 67.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.83 -17.21 38.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 111.644 -175.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.73 14.3 73.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.616 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.69 161.91 14.7 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.68 156.34 36.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -58.44 -38.43 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.279 0.362 . . . . 0.0 111.175 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.03 94.21 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.788 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.48 71.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.212 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' B' ' 41' ' ' ALA . 40.7 t -69.11 -46.01 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.341 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -70.21 -18.61 63.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.546 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -36.74 77.48 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.357 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.825 ' HB2' HG22 ' B' ' 23' ' ' THR . . . -68.87 -40.6 79.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.851 HG22 HG11 ' B' ' 30' ' ' VAL . 12.8 t -57.28 -51.6 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.247 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -65.73 -43.23 89.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.165 -177.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' B' ' 57' ' ' ARG . 0.5 OUTLIER -68.1 -45.63 73.19 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.45 -40.31 79.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 110.468 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -65.86 -36.92 84.8 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.923 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.67 81.92 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.262 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.71 77.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.034 0.445 . . . . 0.0 110.675 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.07 -44.24 69.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 178.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.96 -32.0 68.74 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.448 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -65.89 -40.0 91.15 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.304 0.573 . . . . 0.0 110.421 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -75.4 -16.92 60.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.176 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -111.21 32.33 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.705 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.89 83.75 64.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.76 143.35 18.57 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.921 2.414 . . . . 0.0 111.672 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.67 141.32 36.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.427 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.05 -20.51 57.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.501 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.494 ' HE1' ' HA ' ' B' ' 94' ' ' LYS . 12.2 m-85 -122.72 118.38 27.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.173 0.511 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.63 166.18 11.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.361 175.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.45 111.92 17.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.164 0.507 . . . . 0.0 109.892 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 78' ' ' LEU . 34.2 m -86.22 131.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.345 0.593 . . . . 0.0 110.265 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.42 115.13 21.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.278 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.04 150.37 44.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.654 HG22 ' HG2' ' A' ' 73' ' ' ARG . 15.7 t -78.78 110.4 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.567 ' HA ' ' HB1' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -138.08 149.65 64.52 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.926 -176.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.708 ' HD3' ' HB1' ' A' ' 93' ' ' ALA . 21.6 Cg_exo -67.38 154.44 73.89 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.184 1.923 . . . . 0.0 111.419 172.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 80' ' ' GLU . 0.0 OUTLIER -67.49 -22.2 65.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.81 -175.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -63.13 -49.06 75.89 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.313 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -72.48 -28.72 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.08 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.516 ' HB2' HG11 ' A' ' 74' ' ' VAL . . . -64.99 -23.51 67.24 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.098 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -55.81 -48.34 75.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.161 0.505 . . . . 0.0 110.108 173.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.422 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.2 OUTLIER -77.11 -26.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.823 -178.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 53.4 t -68.06 -35.81 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.558 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -36.71 83.9 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.814 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.56 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.525 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -73.34 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.381 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -43.62 98.43 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.275 0.559 . . . . 0.0 109.923 172.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.98 61.41 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.453 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.52 -40.36 92.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.862 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.828 ' HB1' ' HD3' ' A' ' 79' ' ' PRO . . . -67.93 -32.75 73.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.467 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.494 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 5.1 mttp -69.46 -47.27 64.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.193 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -9.06 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.727 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -74.2 -22.66 59.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.864 0.364 . . . . 0.0 110.565 176.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -112.45 -28.76 7.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.746 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.55 131.88 39.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.972 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 46.26 67.94 0.68 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.454 1.102 . . . . 0.0 113.12 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -121.04 111.0 16.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.158 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mmm . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.221 0.534 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -137.97 74.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.513 173.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.92 157.92 22.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.564 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -135.3 144.87 47.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.383 175.286 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 17.8 tp -92.82 155.85 17.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.413 -171.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 p -91.53 153.21 19.93 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.15 -27.08 68.48 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.487 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -65.74 -45.54 82.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.81 0.338 . . . . 0.0 110.556 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -78.32 -23.37 47.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.48 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CE2' HG23 ' A' ' 24' ' ' ILE . 64.0 t80 -58.32 -46.7 85.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.306 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -46.45 64.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.791 175.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.77 -46.47 89.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.058 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 62' ' ' PHE . . . -59.51 -48.9 79.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.036 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.9 pt -82.48 -14.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.973 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -52.4 -48.54 65.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.053 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.46 6.22 82.35 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.311 -174.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 13' ' ' ALA . 3.8 mm? -115.1 147.33 40.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 111.581 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.85 84.65 6.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.67 HG23 HD11 ' A' ' 24' ' ' ILE . 4.0 m -115.7 134.12 59.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.073 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.6 140.46 35.11 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.467 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 36.7 mt-30 -61.28 -25.97 67.46 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' ILE . 34.7 tt0 -59.43 -51.37 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 174.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -63.67 -37.83 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.114 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.67 HD11 HG23 ' A' ' 19' ' ' VAL . 70.6 mt -60.69 -48.03 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.318 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.36 -26.76 68.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.527 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 40' ' ' PHE . 87.1 mt -69.67 -50.99 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.44 66.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.798 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.755 ' O ' ' HB ' ' A' ' 32' ' ' VAL . 37.6 ttt180 -63.29 -27.97 69.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.965 0.412 . . . . 0.0 110.926 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' ASP . . . -109.22 -40.45 1.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.766 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 t -71.89 -40.94 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 C-N-CA 122.779 0.432 . . . . 0.0 111.406 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.722 HD13 HG23 ' A' ' 55' ' ' VAL . 54.9 tp -100.88 -32.77 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.838 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.755 ' HB ' ' O ' ' A' ' 28' ' ' ARG . 78.4 t -82.69 -46.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 111.328 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 29' ' ' GLY . 18.1 t70 -84.91 -22.18 29.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.43 0.633 . . . . 0.0 109.574 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 83.38 28.7 35.44 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.006 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HG3' ' HB3' ' A' ' 33' ' ' ASP . 66.4 mttm -76.2 137.78 68.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.903 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -57.05 135.82 73.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.67 2.246 . . . . 0.0 111.135 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -57.46 -31.93 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.642 -169.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.57 87.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.406 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -49.19 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.784 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 1.9 t80 -72.74 -34.01 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.037 -176.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.72 86.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.083 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 -27.4 65.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.165 0.507 . . . . 0.0 111.086 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -78.39 -55.96 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' A' ' 46' ' ' LEU . 11.1 mp -79.68 -27.44 40.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -174.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.37 -0.38 59.93 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.213 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 44' ' ' LEU . 8.6 mp -77.97 149.48 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 p -71.31 159.69 34.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.725 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -54.84 -39.27 68.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.542 0.21 . . . . 0.0 110.705 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.86 -40.79 97.25 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.58 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.37 80.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.169 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.94 -36.83 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.638 ' HA ' HG12 ' A' ' 55' ' ' VAL . 39.1 m -72.14 -23.45 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.019 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.76 -38.86 92.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 0.0 109.856 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.8 -48.81 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.421 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.722 HG23 HD13 ' A' ' 31' ' ' LEU . 7.1 p -65.79 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.693 -177.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -66.3 -49.67 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -63.56 -51.9 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.414 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.06 -45.59 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.802 0.334 . . . . 0.0 110.84 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CE3' HD11 ' A' ' 31' ' ' LEU . 72.3 t-105 -61.79 -49.57 75.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.029 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.0 76.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.24 84.79 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 56.5 t80 -76.99 -41.17 43.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 110.187 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.72 -37.91 83.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.368 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -28.38 68.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.478 . . . . 0.0 110.638 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -78.18 -6.53 55.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 6.4 t30 -84.38 -11.24 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' ASN . 3.8 mm? 71.4 99.24 0.04 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.15 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.33 135.44 46.49 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.723 2.282 . . . . 0.0 111.582 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.687 ' HG3' ' HD2' ' A' ' 71' ' ' TYR . 43.7 tt0 -79.23 87.56 4.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.269 0.557 . . . . 0.0 110.553 -177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.42 24.24 28.38 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.047 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.687 ' HD2' ' HG3' ' A' ' 69' ' ' GLU . 90.7 m-85 -78.54 149.53 33.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.49 161.99 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.93 0.395 . . . . 0.0 110.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -128.77 131.26 47.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.59 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.821 HG12 ' HB2' ' B' ' 83' ' ' ALA . 31.9 m -88.56 141.46 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.258 0.552 . . . . 0.0 111.042 -177.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.9 m -136.89 130.83 32.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.74 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' B' ' 90' ' ' GLU . . . -156.54 150.65 25.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.523 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' B' ' 73' ' ' ARG . 2.7 m -78.68 127.28 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 174.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' HD2' ' A' ' 79' ' ' PRO . 1.7 tt -168.1 129.97 1.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.692 ' HD2' HD23 ' A' ' 78' ' ' LEU . 73.1 Cg_exo -37.93 133.32 0.73 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.972 3.114 . . . . 0.0 114.585 -176.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.46 -27.88 66.49 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.039 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.18 -37.94 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -72.45 -25.81 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.329 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' B' ' 74' ' ' VAL . . . -53.75 -23.44 11.86 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 52.6 t80 -52.08 -49.13 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.242 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.408 ' H ' HG13 ' A' ' 85' ' ' ILE . 2.6 mt -75.29 -26.73 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.013 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.569 HG11 ' HB ' ' B' ' 74' ' ' VAL . 64.8 t -66.65 -39.96 85.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -68.04 -23.44 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.175 0.512 . . . . 0.0 110.492 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 84' ' ' TYR . 74.6 mmtt -80.79 -44.69 18.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.202 177.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -62.16 -38.08 87.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.974 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.855 ' HG3' ' H ' ' B' ' 77' ' ' VAL . 44.3 tt0 -59.08 -46.65 87.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.312 0.577 . . . . 0.0 110.354 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.11 66.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.562 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -74.57 -40.56 61.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.661 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.18 77.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 110.665 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.654 ' HA ' HE21 ' A' ' 97' ' ' GLN . 41.1 tttm -69.87 -23.78 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 109.959 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 95' ' ' LYS . 27.0 ttpt -72.02 -30.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.416 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.12 -26.94 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.17 0.51 . . . . 0.0 110.121 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.654 HE21 ' HA ' ' A' ' 94' ' ' LYS . 50.3 mt-30 -72.76 -36.29 67.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.333 171.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' HG3' ' HE2' ' A' ' 100' ' ' LYS . 35.8 tt0 56.14 91.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 122.108 0.956 . . . . 0.0 112.012 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -89.81 37.75 0.89 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.161 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' HE2' ' HG3' ' A' ' 98' ' ' GLU . 50.6 mtmt -101.38 99.22 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.193 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.897 -177.237 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.59 151.07 51.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.47 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -142.07 160.98 39.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.474 ' HB3' ' CA ' ' B' ' 34' ' ' GLY . 3.6 ppt_? -145.78 143.24 29.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.43 0.633 . . . . 0.0 110.914 170.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.709 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 14.6 tp -105.68 160.83 14.9 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.804 -170.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -83.89 153.52 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' B' ' 10' ' ' PHE . 35.3 tt0 -66.93 -23.7 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.654 -174.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.5 m -64.0 -49.44 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.434 ' NE2' HD11 ' B' ' 5' ' ' LEU . 21.0 mt-30 -75.44 -28.95 59.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.035 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.524 ' O ' HG12 ' B' ' 14' ' ' ILE . 86.9 t80 -59.26 -46.29 88.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.58 173.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -45.13 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.455 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.26 -42.91 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.671 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.37 55.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.563 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.524 HG12 ' O ' ' B' ' 10' ' ' PHE . 32.0 pt -69.96 -18.58 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -56.82 -30.35 63.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.153 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.01 35.43 4.94 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' B' ' 61' ' ' ALA . 2.5 mm? -129.54 143.92 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 110.765 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -114.97 83.92 1.99 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.21 146.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.45 -172.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.03 142.8 43.9 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.52 175.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -48.94 -29.56 4.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.16 -40.73 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.361 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.56 HG23 ' HA ' ' B' ' 54' ' ' ALA . 6.8 m -64.48 -44.46 90.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.554 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.39 -41.92 80.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.04 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.29 -40.66 91.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.607 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' B' ' 51' ' ' VAL . 74.4 mt -71.56 -48.15 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.52 . . . . 0.0 110.132 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' B' ' 31' ' ' LEU . . . -62.7 -27.77 69.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.671 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.716 ' O ' ' HB ' ' B' ' 32' ' ' VAL . 67.2 ttt180 -61.76 -27.52 68.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.958 0.409 . . . . 0.0 111.025 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' B' ' 33' ' ' ASP . . . -109.05 -40.69 1.51 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.842 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.97 -38.32 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 120.984 0.421 . . . . 0.0 111.208 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 27' ' ' ALA . 10.6 tt -98.02 -40.61 8.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' O ' ' B' ' 28' ' ' ARG . 84.5 t -79.19 -51.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 29' ' ' GLY . 32.0 t70 -81.94 -24.16 35.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.57 0.7 . . . . 0.0 110.189 -175.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' B' ' 4' ' ' ARG . . . 78.31 41.33 17.31 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.982 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -78.58 148.17 72.82 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.609 0.242 . . . . 0.0 110.538 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.51 118.1 4.92 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.387 2.058 . . . . 0.0 110.573 172.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -53.46 -40.74 65.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.672 -170.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 111.151 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.9 m -66.96 -44.37 80.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . 0.41 ' HE2' HG12 ' B' ' 26' ' ' ILE . 29.0 t80 -65.47 -40.59 93.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.415 0.626 . . . . 0.0 109.431 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.56 89.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.097 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.3 m -70.38 -32.37 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.919 0.39 . . . . 0.0 111.233 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -66.39 -52.27 48.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' B' ' 46' ' ' LEU . 9.2 mp -83.82 -33.58 24.88 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.49 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.05 -3.68 33.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.221 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' B' ' 44' ' ' LEU . 8.0 mp -71.82 147.23 47.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.08 156.32 39.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -53.17 -43.56 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.575 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' B' ' 53' ' ' GLN . . . -54.31 -38.59 62.41 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.707 -0.678 . . . . 0.0 113.181 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.09 -40.47 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.926 0.363 . . . . 0.0 111.062 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' B' ' 26' ' ' ILE . 70.9 t -68.35 -50.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m -68.93 -21.99 64.17 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 49' ' ' GLY . 49.4 tt0 -66.54 -39.12 88.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.56 ' HA ' HG23 ' B' ' 23' ' ' THR . . . -65.81 -44.64 85.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.577 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.05 -38.68 82.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.21 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -66.29 -47.34 73.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.263 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 57' ' ' ARG . 9.7 tpt180 -57.23 -50.52 72.62 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.345 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.0 -46.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.423 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.709 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 65.2 t-105 -62.26 -49.39 75.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.218 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.34 74.71 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' B' ' 17' ' ' LEU . . . -60.68 -46.29 90.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.937 0.398 . . . . 0.0 111.013 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.09 -46.14 88.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.857 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.07 -38.78 66.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.276 -177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.03 -31.42 67.89 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.645 0.26 . . . . 0.0 111.475 -176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -66.68 -11.23 53.17 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 8.4 t30 -84.63 -10.74 57.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.03 0.443 . . . . 0.0 110.104 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' B' ' 66' ' ' ASN . 4.0 mm? 72.28 97.87 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.385 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.482 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 142.15 96.02 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.933 2.422 . . . . 0.0 111.43 174.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.68 100.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.798 -175.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.56 38.89 2.95 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -125.87 118.47 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 110.629 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.9 166.09 17.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.071 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . 35.8 ptt180 -107.02 130.71 54.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.3 0.572 . . . . 0.0 110.231 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.569 ' HB ' HG11 ' A' ' 86' ' ' VAL . 17.0 m -85.39 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.474 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.7 m -125.49 130.6 52.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.154 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.63 152.39 36.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.855 ' H ' ' HG3' ' A' ' 90' ' ' GLU . 61.5 t -78.74 109.95 13.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.538 ' HB2' HG22 ' A' ' 74' ' ' VAL . 41.7 mt -153.25 139.87 12.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.392 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 78' ' ' LEU . 25.8 Cg_exo -63.35 155.37 62.47 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.425 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -53.73 -30.0 42.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.817 -173.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . 0.449 ' O ' ' HB3' ' B' ' 84' ' ' TYR . 21.9 m-70 -58.35 -33.1 69.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.522 ' O ' HG23 ' B' ' 86' ' ' VAL . 28.4 mm-40 -72.83 -46.72 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.6 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 74' ' ' VAL . . . -60.63 -27.05 67.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' B' ' 81' ' ' HIS . 54.9 t80 -51.39 -43.35 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.436 ' H ' HG13 ' B' ' 85' ' ' ILE . 1.1 mt -85.07 -37.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.587 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.565 ' HB ' ' HA ' ' B' ' 83' ' ' ALA . 83.4 t -58.54 -36.52 59.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.567 -175.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' B' ' 83' ' ' ALA . 50.6 mtt180 -60.57 -31.29 70.42 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -78.03 -26.04 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.564 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -77.41 -38.44 49.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.348 0.594 . . . . 0.0 109.692 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.665 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 39.5 tt0 -60.28 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.952 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.82 70.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.474 ' HA ' ' HE3' ' B' ' 95' ' ' LYS . 13.8 t70 -76.79 -36.98 56.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.404 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.33 -34.27 70.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -68.53 -37.12 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.474 ' HE3' ' HA ' ' B' ' 92' ' ' ASP . 27.0 ttpp -69.78 -11.33 60.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.998 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -63.61 -34.75 78.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.095 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -86.64 3.29 45.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.276 0.56 . . . . 0.0 109.785 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 63.68 130.4 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.288 -1.323 . . . . 0.0 113.581 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -108.25 -3.0 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.631 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -114.83 159.32 20.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.494 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' B' ' 101' ' ' ARG . 29.2 mmt180 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.112 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.767 0.317 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 109.67 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.429 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.456 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 1.5 tttp -161.76 -178.3 6.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.793 ' HG2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -108.16 155.33 20.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.018 0.437 . . . . 0.0 110.428 177.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.542 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 7.4 tp -134.53 166.76 22.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.827 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 163.58 12.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 172.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.75 -23.18 67.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.648 0.261 . . . . 0.0 111.466 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -45.58 82.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.083 0.468 . . . . 0.0 110.956 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.542 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 11.1 mp0 -78.47 -24.5 45.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.435 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.64 ' HE1' HG23 ' A' ' 24' ' ' ILE . 16.2 t80 -62.66 -53.7 50.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.68 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -64.95 -27.18 68.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.133 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.01 -32.31 65.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.976 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.11 -43.31 53.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.776 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -79.44 2.96 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.91 -52.75 64.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.98 0.512 . . . . 0.0 112.284 -176.547 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.15 42.41 1.95 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.054 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.12 144.91 50.92 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.855 0.359 . . . . 0.0 110.765 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.22 83.53 4.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 173.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.37 126.51 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.907 -177.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.11 169.95 55.04 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.744 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.092 0.557 . . . . 0.0 112.472 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.12 -47.12 75.17 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.296 -0.161 . . . . 0.0 110.576 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -61.13 -37.83 84.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.531 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.64 HG23 ' HE1' ' A' ' 10' ' ' PHE . 73.7 mt -70.31 -47.51 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.34 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.89 -31.77 61.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.19 -45.15 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.18 -19.03 65.78 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.653 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.79 -29.79 69.07 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.184 -0.323 . . . . 0.0 111.062 176.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 33' ' ' ASP . . . -111.67 -0.51 27.54 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.671 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 2.0 t -112.84 -46.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.769 HD23 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -90.29 -49.06 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -178.229 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG21 ' HD2' ' A' ' 28' ' ' ARG . 93.0 t -71.48 -33.44 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.064 0.459 . . . . 0.0 110.773 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 1.1 t0 -90.62 -19.1 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.793 ' HA3' ' HG2' ' A' ' 4' ' ' ARG . . . 66.71 46.05 78.89 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.047 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 mttt -118.15 148.8 44.41 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.373 0.13 . . . . 0.0 110.959 -176.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 29.2 Cg_exo -61.84 139.08 78.02 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.188 2.592 . . . . 0.0 113.383 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.689 ' HB3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -72.53 -23.24 60.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.927 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -44.13 97.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.441 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.46 71.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.153 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.417 ' HB3' HG11 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -66.77 -39.46 87.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.182 -175.65 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -65.88 -50.27 65.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.552 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -22.77 61.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.7 m -76.57 -41.62 45.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.067 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -22.6 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.742 -176.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.7 20.33 34.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.541 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.61 171.53 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.237 -0.481 . . . . 0.0 109.816 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.54 156.29 20.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.096 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -43.99 97.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 110.825 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -66.22 -27.8 73.23 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 113.017 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.35 46.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 37' ' ' GLN . 90.7 t -71.62 -39.69 70.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.861 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -74.04 -16.76 61.04 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.66 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -69.73 -33.41 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 176.356 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' HA ' HG22 ' A' ' 23' ' ' THR . . . -66.9 -47.3 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.042 -178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.769 HG23 HD23 ' A' ' 31' ' ' LEU . 7.7 p -65.95 -36.73 78.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.156 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -65.34 -50.11 66.83 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.605 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -69.37 -48.86 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.157 -173.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 ' CE2' ' A' ' 10' ' ' PHE . 71.2 t -70.47 -41.66 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.583 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.586 ' HE3' HD11 ' A' ' 31' ' ' LEU . 71.2 t-105 -64.84 -43.64 92.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.307 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.25 72.35 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.111 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.1 97.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.105 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -73.29 -37.17 66.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.849 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.83 -35.63 81.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 10.5 t70 -77.97 -30.35 50.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 177.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -66.34 -40.71 90.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.203 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -90.75 3.11 55.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.643 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.41 115.18 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 124.665 1.186 . . . . 0.0 112.283 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 9.7 Cg_endo -87.32 1.8 7.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.002 2.468 . . . . 0.0 111.652 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.66 151.94 18.9 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.652 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.84 -33.43 7.4 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.09 130.31 56.9 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.85 139.88 50.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' B' ' 77' ' ' VAL . 5.9 ptp85 -123.9 124.3 42.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.6 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -92.01 115.55 31.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.741 0.781 . . . . 0.0 111.171 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.48 HG23 HG23 ' B' ' 75' ' ' THR . 0.2 OUTLIER -83.12 116.37 22.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.074 177.33 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB1' ' HG3' ' B' ' 90' ' ' GLU . . . -122.42 155.92 35.09 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.754 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.427 HG13 ' HB3' ' B' ' 73' ' ' ARG . 1.4 t -108.87 108.75 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.4 OUTLIER -164.08 130.0 2.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.926 -170.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.883 ' HA ' ' HB3' ' B' ' 72' ' ' ALA . 37.1 Cg_exo -63.17 157.49 49.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.113 2.542 . . . . 0.0 113.043 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -68.9 -19.55 64.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.185 -174.249 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.2 -54.88 40.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 110.822 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -73.42 -27.56 61.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.825 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 80' ' ' GLU . . . -62.91 -20.83 65.56 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.596 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -52.27 -44.58 65.02 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.374 0.421 . . . . 0.0 111.073 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -83.73 -34.01 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.46 -37.35 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.88 -177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.03 -32.97 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.641 0.377 . . . . 0.0 111.384 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -73.74 -45.42 52.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.558 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -65.45 -41.81 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' B' ' 76' ' ' ALA . 22.9 mm-40 -77.49 -22.91 50.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.146 -176.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.29 76.86 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.362 0.601 . . . . 0.0 109.417 170.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -75.25 -29.72 60.28 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.321 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 96' ' ' LYS . . . -70.62 -35.92 73.21 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 176.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -38.54 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.176 174.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -80.96 -11.86 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.103 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -76.9 -13.05 60.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.281 0.563 . . . . 0.0 110.17 175.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.06 -1.53 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.793 172.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.79 33.65 10.05 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.281 1.032 . . . . 0.0 112.379 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.85 61.84 0.6 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.769 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -144.59 127.51 16.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.716 -176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.2 mpt_? . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.0 177.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.4 ' HA ' ' CD1' ' B' ' 59' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.779 0.323 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -89.84 66.17 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.378 0.609 . . . . 0.0 110.386 178.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -154.01 159.06 41.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.464 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.621 ' HG2' ' HA3' ' B' ' 34' ' ' GLY . 2.9 mtt-85 -93.25 154.93 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.184 0.516 . . . . 0.0 110.903 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.444 ' HB2' ' HZ3' ' B' ' 59' ' ' TRP . 11.1 tp -117.19 161.77 18.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.29 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -93.76 163.56 13.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.872 0.368 . . . . 0.0 110.62 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -45.66 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -73.66 -31.28 63.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.129 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -65.3 -46.98 78.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.07 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -32.5 72.78 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.93 -42.52 97.34 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.27 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.921 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 pt -76.3 -22.3 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -173.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.31 -6.43 59.24 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.816 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.07 6.04 58.06 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 171.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -124.2 163.26 21.95 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.775 0.43 . . . . 0.0 111.028 -177.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.98 84.62 2.28 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.23 161.9 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.892 -175.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.45 146.76 43.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.28 -1.327 . . . . 0.0 113.524 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.496 HE21 HD12 ' B' ' 24' ' ' ILE . 1.3 mp0 -72.88 -19.22 61.33 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.88 -46.49 68.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -37.5 80.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.3 177.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.496 HD12 HE21 ' B' ' 21' ' ' GLN . 81.5 mt -69.4 -41.18 80.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.684 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.13 -33.1 75.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.491 ' O ' ' HB ' ' B' ' 30' ' ' VAL . 39.2 mt -69.7 -50.93 45.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.32 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.677 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -30.05 71.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.582 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.63 -36.02 2.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.631 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.613 HG11 ' HB ' ' B' ' 55' ' ' VAL . 0.9 OUTLIER -66.04 -41.12 89.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.965 0.506 . . . . 0.0 111.454 -176.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.549 HD21 HG23 ' B' ' 55' ' ' VAL . 28.9 mt -97.6 -52.0 3.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.473 -177.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.85 -39.34 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -93.46 -14.38 26.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.753 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HG2' ' B' ' 4' ' ' ARG . . . 73.99 48.38 16.15 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.0 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 138.04 21.47 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.698 -0.251 . . . . 0.0 110.931 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.6 139.88 91.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.962 2.441 . . . . 0.0 112.266 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.544 HE21 HG13 ' B' ' 30' ' ' VAL . 15.9 mp0 -72.03 -28.49 63.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.483 -174.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.75 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.657 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.8 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.407 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -37.94 81.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.599 ' HA ' HG21 ' B' ' 51' ' ' VAL . . . -63.56 -47.0 83.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.284 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -65.45 -41.65 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.738 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -74.48 -29.71 61.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -83.42 -27.51 29.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 26.7 32.77 Favored Glycine 0 N--CA 1.45 -0.424 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.407 HD23 HD11 ' B' ' 26' ' ' ILE . 1.8 mp -103.86 170.63 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.34 154.49 30.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 48' ' ' ARG . 4.2 ttp180 -64.41 -42.76 95.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.114 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.22 -26.97 73.39 Favored Glycine 0 C--O 1.223 -0.533 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.76 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.07 -39.83 65.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 110.708 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' B' ' 41' ' ' ALA . 44.8 t -71.28 -39.72 73.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.47 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 m -73.41 -20.64 60.68 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.446 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.7 73.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.447 173.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.15 83.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.972 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.613 ' HB ' HG11 ' B' ' 30' ' ' VAL . 3.3 p -66.37 -39.05 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.123 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -69.04 -48.38 63.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.22 -38.57 77.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.434 0.159 . . . . 0.0 111.315 -175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.444 ' HZ3' ' HB2' ' B' ' 5' ' ' LEU . 53.1 t-105 -67.22 -42.15 84.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.784 0.326 . . . . 0.0 110.949 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.81 82.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.3 -39.69 81.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.75 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.16 -49.53 75.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.53 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.87 -43.29 93.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.773 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.58 -39.58 91.78 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.696 0.284 . . . . 0.0 111.591 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.19 -28.63 61.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -25.19 62.37 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.369 176.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.86 90.68 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.571 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.51 -12.81 22.66 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.844 2.363 . . . . 0.0 111.457 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.34 118.32 19.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.881 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.66 -27.19 69.75 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.438 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -103.18 157.3 17.1 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.883 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . -156.15 157.27 35.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.427 ' HB3' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -139.79 115.36 10.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.207 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 15.3 m -96.95 138.6 21.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.368 0.604 . . . . 0.0 111.729 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . 0.48 HG23 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -98.59 113.83 26.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.138 177.212 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.43 ' HB1' ' HG3' ' A' ' 90' ' ' GLU . . . -112.0 173.22 6.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -124.38 109.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.366 -179.038 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' B' ' 82' ' ' GLN . 2.3 tp -163.1 140.88 6.15 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.13 -171.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.81 158.38 38.16 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.17 2.58 . . . . 0.0 113.241 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -18.72 64.17 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.201 -176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -60.46 -55.27 35.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.48 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.592 ' HB3' HD21 ' B' ' 78' ' ' LEU . 6.2 tt0 -72.11 -26.46 62.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.51 62.42 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -52.44 -46.86 66.59 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.483 ' H ' HG13 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -80.66 -32.62 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.698 -178.442 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.82 -42.0 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.944 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -40.36 61.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.107 0.563 . . . . 0.0 111.841 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -75.39 -33.15 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -79.82 -32.96 40.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.702 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.644 ' HG3' ' HB1' ' A' ' 76' ' ' ALA . 18.7 mm-40 -77.34 -24.02 50.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.144 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.78 -22.54 37.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.16 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.461 ' HB1' HD12 ' A' ' 78' ' ' LEU . . . -67.92 -40.75 83.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.116 0.484 . . . . 0.0 110.707 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -26.68 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.961 175.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -10.19 59.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.294 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -71.71 -16.37 62.23 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -94.12 -1.17 54.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.176 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.46 39.32 31.09 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.088 0.955 . . . . 0.0 113.104 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -17.18 53.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 175.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.81 34.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.41 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.739 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.467 177.534 . . . . . . . . 1 1 . 1 stop_ save_