data_5iew_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 5iew _Structure_validation_residue.Date_analyzed 2017-03-10 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.716 -0.554 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 5' ' ' GLN . 15.7 m -124.59 28.96 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.034 0.445 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.9 tpt -63.98 -46.29 85.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.284 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.37 -22.36 66.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.518 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 2' ' ' SER . 7.3 tp-100 -61.96 -46.15 90.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.108 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 10' ' ' VAL . 6.9 mp -74.23 -29.51 61.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.276 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 71.8 mm-40 -56.98 -56.9 15.77 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.456 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -59.93 -36.56 77.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.622 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -56.6 -57.19 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.096 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 6' ' ' LEU . 94.2 t -56.78 -34.02 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 122.17 0.986 . . . . 0.0 108.674 -176.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 42.5 mt-10 -77.16 -46.7 22.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.691 -1.595 . . . . 0.0 112.361 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.06 -55.81 28.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.5 mt -55.55 -40.5 71.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.092 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -64.78 -42.19 95.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.069 0.147 . . . . 0.0 111.009 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -62.57 -38.35 89.75 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.019 0.438 . . . . 0.0 110.692 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 22.9 tptm -71.33 -44.71 64.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.938 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -51.57 -46.51 63.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.97 -49.75 74.76 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.503 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.7 -36.41 80.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.878 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 24' ' ' VAL . 90.8 mt -61.87 -46.8 87.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -38.41 70.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.149 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.59 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 13.8 m120 -63.99 -53.04 56.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.66 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -59.61 -38.94 82.63 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 20' ' ' LEU . 79.3 t -54.9 -54.29 25.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 110.108 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.42 -45.64 92.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.089 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 82.8 mtp180 -56.45 -57.56 11.77 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.103 0.478 . . . . 0.0 110.872 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.7 mt -60.93 -31.72 71.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.815 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -71.88 -45.59 60.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 64.4 pttt -67.97 -14.82 63.27 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.66 0.267 . . . . 0.0 110.959 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 90.5 mt -86.96 -57.18 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.924 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.64 -30.76 46.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.55 59.62 0.42 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.079 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.025 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 15.1 m -124.73 29.06 6.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.265 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.2 -46.15 85.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.309 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.25 -22.56 66.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.486 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' B' ' 2' ' ' SER . 7.2 tp-100 -62.06 -46.01 91.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.901 0.382 . . . . 0.0 110.08 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.557 ' O ' HG21 ' B' ' 10' ' ' VAL . 6.9 mp -74.18 -29.65 61.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.312 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 72.2 mm-40 -56.68 -57.25 13.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.593 0.235 . . . . 0.0 110.473 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -59.62 -36.71 76.87 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -56.57 -57.16 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.202 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.557 HG21 ' O ' ' B' ' 6' ' ' LEU . 93.1 t -56.73 -34.12 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.647 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 7' ' ' GLU . 43.0 mt-10 -77.29 -46.54 22.72 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 113.724 -1.58 . . . . 0.0 112.377 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -55.81 28.48 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.093 0.473 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.46 -40.67 71.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.102 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.76 -42.13 95.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.037 0.135 . . . . 0.0 110.977 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.8 m -62.63 -38.33 89.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 0.0 110.535 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 23.0 tptm -71.33 -44.71 64.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.944 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -51.48 -46.7 63.22 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.887 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.79 -49.74 74.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.606 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.68 -36.62 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.588 ' O ' HG22 ' B' ' 24' ' ' VAL . 91.9 mt -61.77 -46.86 87.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.27 70.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.22 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.59 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 13.8 m120 -64.1 -52.91 56.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.65 176.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -59.7 -38.91 82.91 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.08 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 20' ' ' LEU . 78.7 t -54.84 -54.43 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.015 0.436 . . . . 0.0 110.161 176.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.04 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.926 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 82.8 mtp180 -56.21 -57.39 12.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.829 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.3 mt -61.11 -31.63 71.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.746 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -72.14 -45.08 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 64.7 pttt -68.56 -14.26 62.89 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.7 mt -87.47 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.855 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.68 -30.75 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.73 59.25 0.42 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.122 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.539 -0.744 . . . . 0.0 109.214 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -73.76 156.87 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.633 0.216 . . . . 0.0 110.525 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.0 mtt -57.85 -59.62 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -24.5 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.378 . . . . 0.0 110.932 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -68.64 -49.59 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.334 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 10' ' ' VAL . 94.6 mt -69.99 -35.8 74.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.903 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.31 -44.43 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.765 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.6 m-20 -59.25 -42.26 90.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -61.33 -43.66 98.51 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' LEU . 87.1 t -56.06 -35.45 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.33 -51.85 13.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.497 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.1 mt-10 -55.24 -61.55 2.25 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 111.483 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.08 -38.57 65.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.3 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.72 -41.49 83.4 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -60.68 -42.69 97.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.997 0.427 . . . . 0.0 110.045 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -67.29 -43.16 82.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.369 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.421 HD22 ' HG2' ' B' ' 16' ' ' LYS . 24.0 t-20 -54.58 -42.14 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.96 -38.51 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.658 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -54.81 -51.85 64.51 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.4 mm? -68.33 -40.54 81.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.613 -175.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.46 -42.9 74.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.679 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -64.03 -45.08 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.857 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.14 -40.69 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.936 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 20' ' ' LEU . 54.4 t -54.19 -51.69 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.162 0.506 . . . . 0.0 110.2 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.49 95.02 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.991 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 71.9 ttt180 -64.19 -53.29 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 84.1 mt -61.24 -25.9 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.388 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -67.61 -47.79 68.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.03 -32.46 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 74.6 mt -74.02 -46.14 45.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.736 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 27' ' ' LEU . 45.9 t -65.7 -30.16 49.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.908 174.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.25 -78.02 0.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.986 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.408 -179.206 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -73.73 156.72 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.602 0.201 . . . . 0.0 110.542 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.86 -59.46 5.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -173.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -24.53 67.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.48 -49.76 57.42 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.294 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 10' ' ' VAL . 94.1 mt -69.91 -35.85 74.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.868 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.49 -44.05 84.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.846 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 3.8 m-20 -59.6 -42.15 91.92 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.889 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -61.27 -43.73 98.4 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 6' ' ' LEU . 81.6 t -55.97 -35.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -74.14 -52.17 13.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.487 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 42.9 mt-10 -55.03 -61.58 2.22 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.097 0.475 . . . . 0.0 111.532 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.09 -38.56 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.322 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.74 -41.46 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 26.0 t -60.56 -43.06 97.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 110.06 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.421 ' HG2' HD22 ' A' ' 17' ' ' ASN . 63.7 tttp -67.09 -43.07 83.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.326 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -54.64 -42.08 70.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.97 -38.57 86.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -54.68 -52.17 63.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.573 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -67.92 -40.56 83.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.739 -175.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.76 -42.86 76.07 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.805 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -63.83 -44.83 92.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.014 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.35 -40.67 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.988 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.422 HG21 ' O ' ' B' ' 20' ' ' LEU . 54.5 t -54.27 -51.56 46.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.071 0.462 . . . . 0.0 110.192 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.58 94.95 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.136 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 72.2 ttt180 -64.29 -53.28 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.502 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.7 mt -61.13 -25.78 67.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.433 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -67.75 -47.86 68.03 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -60.97 -32.81 72.35 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 74.6 mt -73.42 -46.34 49.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.755 -176.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.462 HG22 ' O ' ' B' ' 27' ' ' LEU . 46.1 t -65.68 -30.26 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.777 0.323 . . . . 0.0 110.834 174.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.17 -77.94 0.48 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.539 -179.388 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -82.88 171.1 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.703 0.252 . . . . 0.0 110.689 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.0 -49.29 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.646 0.26 . . . . 0.0 110.333 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -61.7 -46.21 90.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.58 -43.78 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 10' ' ' VAL . 97.8 mt -74.18 -31.88 62.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 6.8 tp10 -57.88 -46.19 85.24 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.511 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -57.15 -46.86 82.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.854 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -54.38 -54.59 38.56 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.333 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.58 HG21 ' O ' ' A' ' 6' ' ' LEU . 95.0 t -53.08 -45.68 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.712 -175.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 11.4 pt-20 -75.25 -42.24 55.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.383 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.32 -52.31 65.8 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.25 -45.5 94.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.246 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -44.14 96.84 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.0 p -62.75 -35.46 79.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.427 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -71.41 -40.75 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.2 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -51.67 -44.54 63.11 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.878 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -62.13 -47.88 82.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.297 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -62.55 -50.07 72.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.34 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 24' ' ' VAL . 94.7 mt -59.66 -44.5 93.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.021 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.65 79.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.62 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 13.1 m120 -72.23 -42.41 65.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.63 71.13 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.325 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 20' ' ' LEU . 90.1 t -54.07 -49.95 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.14 81.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.111 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 45.7 mtt85 -66.13 -45.09 82.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.972 0.415 . . . . 0.0 110.435 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 90.2 mt -61.9 -29.73 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.124 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.41 -42.77 87.33 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 110.58 -0.156 . . . . 0.0 110.58 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.26 -36.54 66.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.744 0.306 . . . . 0.0 111.131 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.43 -50.2 13.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 27' ' ' LEU . 46.4 t -64.92 -30.48 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.553 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.76 74.84 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.066 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.865 -0.588 . . . . 0.0 110.536 -178.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -82.87 170.85 14.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.757 0.279 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -55.77 -49.14 73.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.48 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.02 -46.12 90.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.081 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.61 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.576 ' O ' HG21 ' B' ' 10' ' ' VAL . 97.4 mt -74.37 -31.84 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.253 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 6.6 tp10 -57.81 -46.51 84.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.433 177.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -57.07 -46.41 82.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.911 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.78 -54.4 42.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.348 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.576 HG21 ' O ' ' B' ' 6' ' ' LEU . 95.3 t -53.15 -45.68 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.672 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 11.4 pt-20 -75.44 -42.15 54.04 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.317 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -60.33 -52.16 66.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.421 0.629 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.38 -45.65 93.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.204 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 tp -63.14 -43.86 97.17 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 p -62.66 -35.45 79.68 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.506 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -71.56 -40.98 69.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.193 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.7 -44.34 63.12 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -62.17 -47.8 82.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.26 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -62.49 -50.37 71.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.319 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.557 ' O ' HG23 ' B' ' 24' ' ' VAL . 95.4 mt -59.58 -44.7 93.26 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.197 0.31 . . . . 0.0 110.928 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -36.47 78.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.082 0.467 . . . . 0.0 110.666 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 13.3 m120 -72.3 -42.02 65.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 -50.43 72.52 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 20' ' ' LEU . 90.4 t -53.97 -50.45 53.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.818 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.69 81.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.363 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 45.7 mtt85 -66.38 -45.08 81.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.95 0.405 . . . . 0.0 110.425 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.4 mt -61.98 -29.75 70.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.094 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.27 -42.77 87.97 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.494 0.188 . . . . 0.0 110.663 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -55.66 -36.0 66.61 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.196 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.86 -50.39 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.592 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 27' ' ' LEU . 46.4 t -64.75 -30.88 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.518 0.199 . . . . 0.0 111.47 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.93 -26.2 74.4 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.94 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.142 -178.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 p 46.78 29.36 0.97 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.222 1.009 . . . . 0.0 113.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.424 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 58.9 mtt -72.12 -45.1 61.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HZ3' ' HB2' ' A' ' 4' ' ' LYS . 9.5 mtmp? -61.38 -37.4 83.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.684 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 44.5 mt-30 -64.28 -41.25 96.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.059 177.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.473 ' O ' HG21 ' A' ' 10' ' ' VAL . 95.8 mt -73.17 -43.91 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.468 -177.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 3' ' ' MET . 13.3 pt-20 -72.1 -22.84 61.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.275 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -45.63 83.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 173.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 42.2 mttm -56.11 -50.09 72.05 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 174.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 6' ' ' LEU . 86.2 t -53.59 -41.24 45.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.067 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.78 -52.44 25.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.25 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.73 -57.44 12.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.143 0.497 . . . . 0.0 110.976 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.2 -44.14 64.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.228 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.25 -42.5 88.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.287 0.089 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -58.86 -44.98 91.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.942 0.401 . . . . 0.0 110.316 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -69.41 -41.68 76.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.376 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -54.59 -49.78 69.6 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.502 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.2 -46.95 72.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.071 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -63.53 -43.78 96.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.867 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 93.9 mt -64.26 -44.65 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.58 -36.95 82.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.851 0.358 . . . . 0.0 110.353 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.01 -46.31 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -67.19 -40.37 86.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' LEU . 94.1 t -53.81 -54.15 21.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 121.04 0.448 . . . . 0.0 110.206 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.06 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.906 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' O ' HD23 ' A' ' 30' ' ' LEU . 79.8 ttt180 -58.47 -56.13 26.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.91 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 94.9 mt -59.46 -28.94 67.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.659 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -73.54 -49.81 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.629 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.01 -31.35 72.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.668 0.27 . . . . 0.0 110.573 175.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 26' ' ' ARG . 3.7 mm? -71.31 -56.97 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.639 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.77 -30.73 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.66 137.93 5.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.9 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.649 -179.767 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p 46.41 29.44 0.88 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.428 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 58.8 mtt -71.95 -44.91 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.476 ' HZ3' ' HB2' ' B' ' 4' ' ' LYS . 9.6 mtmp? -61.69 -37.55 84.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.538 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 44.8 mt-30 -64.05 -41.28 97.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.999 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.464 ' O ' HG21 ' B' ' 10' ' ' VAL . 95.8 mt -73.13 -43.96 60.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.565 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 3' ' ' MET . 13.5 pt-20 -72.48 -22.35 61.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.265 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -45.63 82.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 110.328 173.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 42.2 mttm -56.25 -50.05 72.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.464 HG21 ' O ' ' B' ' 6' ' ' LEU . 86.1 t -53.69 -41.16 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 115.054 -0.976 . . . . 0.0 108.943 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.78 -52.24 26.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.156 -1.383 . . . . 0.0 111.351 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.79 -57.66 11.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.071 0.462 . . . . 0.0 110.971 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.0 -44.24 64.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.207 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.16 -42.34 89.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.355 0.071 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -59.04 -44.9 91.84 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 110.197 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -69.53 -41.87 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.383 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.29 -49.79 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.551 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.19 -47.12 72.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.09 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -63.38 -43.93 96.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.606 ' O ' HG23 ' B' ' 24' ' ' VAL . 93.8 mt -64.11 -44.65 91.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.679 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.43 -37.28 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.404 . . . . 0.0 110.416 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.95 -46.12 92.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.639 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.07 -40.41 87.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 20' ' ' LEU . 94.4 t -53.77 -54.31 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 121.259 0.552 . . . . 0.0 110.202 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.83 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.873 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.45 ' O ' HD23 ' B' ' 30' ' ' LEU . 79.8 ttt180 -58.68 -56.15 25.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.888 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 94.9 mt -59.51 -28.8 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.616 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -73.64 -49.6 25.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.711 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -31.11 72.18 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.608 175.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 26' ' ' ARG . 3.7 mm? -71.83 -56.4 5.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.725 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.17 -30.4 47.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.31 138.5 5.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.921 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -80.72 172.59 13.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.673 0.273 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.16 -35.87 81.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.836 0.351 . . . . 0.0 110.397 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -64.56 -34.45 78.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.645 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -62.68 -38.54 90.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.382 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 10' ' ' VAL . 90.8 mt -72.8 -36.27 67.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.978 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -60.71 -37.9 83.26 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.282 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.99 -42.45 99.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.52 -49.34 78.15 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 6' ' ' LEU . 75.7 t -54.97 -38.31 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-O 122.026 0.917 . . . . 0.0 108.624 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.91 -52.06 22.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.595 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.37 -54.36 47.92 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.21 -39.6 75.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.396 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.27 -41.06 97.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.614 0.245 . . . . 0.0 110.663 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -69.02 -34.07 74.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.54 -50.66 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.819 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -55.3 -45.23 76.25 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.85 -40.08 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.248 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -63.65 -55.2 25.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.62 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 24' ' ' VAL . 3.0 mm? -69.03 -37.19 78.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -63.68 -30.45 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.872 0.367 . . . . 0.0 110.48 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.39 -47.64 19.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.51 -42.97 88.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.084 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 20' ' ' LEU . 55.5 t -55.24 -52.65 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-O 120.939 0.399 . . . . 0.0 110.474 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.11 79.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.608 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 43.1 mtm105 -70.59 -53.43 15.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 110.204 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.9 mt -61.12 -24.12 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.544 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -75.25 -48.38 23.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.701 -174.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -70.6 -15.61 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.524 -0.471 . . . . 0.0 111.148 174.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 26' ' ' ARG . 2.7 mp -76.86 -52.48 9.41 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 175.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.7 -31.06 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.975 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.28 56.01 0.68 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.736 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.087 175.472 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 68.4 p -80.72 172.6 13.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.683 0.277 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 68.1 mtt -65.95 -35.91 81.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.787 0.327 . . . . 0.0 110.425 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -64.67 -34.08 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.693 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.109 0.48 . . . . 0.0 110.397 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.498 ' O ' HG22 ' B' ' 10' ' ' VAL . 90.0 mt -72.62 -35.97 67.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.15 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.03 -37.17 81.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.314 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -62.45 -42.7 99.66 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -59.38 -49.21 78.69 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.498 HG22 ' O ' ' B' ' 6' ' ' LEU . 73.4 t -55.18 -38.22 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 122.057 0.932 . . . . 0.0 108.66 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.83 -52.1 22.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.652 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.4 -54.11 50.69 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.963 0.411 . . . . 0.0 111.126 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.27 -39.56 75.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.377 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -64.36 -41.21 96.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.709 0.29 . . . . 0.0 110.562 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -68.75 -34.19 75.18 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.272 0.558 . . . . 0.0 109.552 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.59 -50.63 66.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.72 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -55.36 -45.27 76.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.566 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.74 -39.95 53.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -64.15 -54.95 25.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.578 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.474 ' O ' HG22 ' B' ' 24' ' ' VAL . 3.0 mm? -69.19 -36.89 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.916 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -63.9 -30.3 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.317 . . . . 0.0 110.565 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -77.51 -47.63 19.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.672 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -43.02 89.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 20' ' ' LEU . 55.7 t -55.26 -52.5 44.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.99 0.424 . . . . 0.0 110.524 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.26 79.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.46 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.485 ' O ' HD12 ' B' ' 30' ' ' LEU . 43.0 mtm105 -70.67 -53.55 15.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.0 mt -60.83 -24.03 65.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.628 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -75.31 -48.45 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.746 -174.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -70.55 -15.81 62.81 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.217 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 26' ' ' ARG . 2.7 mp -76.48 -52.95 8.82 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.47 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.39 -31.07 52.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.25 55.58 0.7 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.071 175.645 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.02 -0.432 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -73.35 162.15 29.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.3 ttm -58.81 -56.87 16.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.409 0.147 . . . . 0.0 111.059 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.48 -30.41 71.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.649 0.261 . . . . 0.0 111.304 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 58.3 tt0 -66.88 -49.41 65.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.611 ' O ' HG21 ' A' ' 10' ' ' VAL . 97.8 mt -63.7 -34.65 78.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.13 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.08 -48.66 75.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.655 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -62.23 -44.16 97.2 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.351 178.577 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 11.7 mmmm -53.18 -47.58 68.73 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.371 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' ' 6' ' ' LEU . 58.3 t -55.39 -39.09 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.921 0.867 . . . . 0.0 108.73 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -72.24 -47.47 50.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.993 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 45.7 mt-10 -55.1 -58.5 7.42 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.142 0.496 . . . . 0.0 111.295 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.25 -37.53 72.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.311 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.66 -41.18 98.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.508 0.194 . . . . 0.0 110.658 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -60.21 -43.9 95.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.118 0.485 . . . . 0.0 109.979 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -68.28 -42.88 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.495 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 19.9 t-20 -54.98 -43.37 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -60.25 -38.6 83.96 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 12.2 t-80 -58.0 -51.94 67.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.589 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.6 mm? -66.13 -38.43 88.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 49.9 mt-10 -56.55 -43.35 79.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.943 0.401 . . . . 0.0 110.471 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 5.3 m-20 -68.08 -42.61 80.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.953 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 28.3 mm-40 -58.58 -46.22 87.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.4 t -53.92 -51.99 40.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.004 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.96 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.28 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 34.3 mmt180 -63.97 -43.07 96.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.701 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.8 mt -64.61 -33.79 76.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.415 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.37 -40.59 81.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.369 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -57.09 -34.5 68.37 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.834 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.58 -54.58 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.277 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.98 -33.03 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 111.416 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.89 -79.21 0.35 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.249 1.074 0 O-C-N 124.152 0.56 . . . . 0.0 111.848 173.43 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -73.47 162.12 29.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.7 ttm -58.96 -56.46 21.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.438 0.161 . . . . 0.0 111.023 -175.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -63.02 -30.21 71.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 58.8 tt0 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.359 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.61 ' O ' HG21 ' B' ' 10' ' ' VAL . 97.7 mt -63.96 -34.74 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.148 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.26 -48.31 76.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.769 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -62.5 -43.69 98.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 178.303 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 11.7 mmmm -53.55 -47.47 70.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.351 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.61 HG21 ' O ' ' B' ' 6' ' ' LEU . 57.6 t -55.32 -39.26 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.079 0.943 . . . . 0.0 108.738 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -72.17 -47.66 49.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.964 -1.471 . . . . 0.0 111.903 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.8 mt-10 -55.17 -57.78 10.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.09 0.471 . . . . 0.0 111.393 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.81 -37.8 74.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.336 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.96 -42.06 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.542 -0.169 . . . . 0.0 110.542 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.04 -42.91 95.44 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.118 0.485 . . . . 0.0 110.178 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -68.85 -42.96 76.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.452 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 20.0 t-20 -55.08 -42.95 73.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -60.34 -38.95 85.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.594 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 12.0 t-80 -57.82 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.589 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.7 mm? -66.12 -38.22 87.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.334 -175.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 50.7 mt-10 -56.95 -42.78 80.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.646 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.2 m-20 -68.35 -42.75 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.844 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 27.1 mm-40 -58.61 -46.33 87.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.502 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 20' ' ' LEU . 56.4 t -53.98 -51.93 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.993 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.87 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.361 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 34.2 mmt180 -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.038 0.447 . . . . 0.0 110.757 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.5 mt -64.75 -33.88 77.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.428 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -40.89 81.24 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.398 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -56.7 -34.54 67.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.57 -54.7 14.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.204 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.86 -33.09 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.352 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.96 -79.31 0.35 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.25 1.096 0 O-C-N 124.177 0.575 . . . . 0.0 111.927 172.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -133.48 32.55 3.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.367 0.603 . . . . 0.0 109.41 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.435 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -67.48 -41.64 84.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.441 -173.053 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -62.34 -34.17 76.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.6 mm100 -71.57 -53.86 12.36 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HG ' ' HG ' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -71.1 -27.26 63.48 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.719 -174.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.0 -38.32 82.27 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.708 0.29 . . . . 0.0 110.526 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.23 -50.18 42.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.893 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 33.4 mtmt -58.75 -51.11 71.35 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.59 -30.94 50.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.801 0.81 . . . . 0.0 108.961 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.56 -50.55 13.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.606 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.37 -56.56 19.55 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.574 0.349 . . . . 0.0 111.338 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -49.27 -51.67 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.48 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.48 -37.75 79.06 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.361 0.413 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.4 ' O ' ' HD2' ' A' ' 19' ' ' HIS . 17.7 t -61.66 -38.58 88.25 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 109.794 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.11 -38.16 72.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.248 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -54.18 -51.47 64.27 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -50.73 -51.72 47.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.789 0.681 . . . . 0.0 111.16 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 15' ' ' SER . 40.4 m-70 -60.5 -50.9 71.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.535 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 24' ' ' VAL . 86.4 mt -62.73 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.21 -39.97 92.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.29 -41.81 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.09 -36.73 82.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.972 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.589 HG21 ' O ' ' A' ' 20' ' ' LEU . 80.7 t -58.25 -58.53 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.021 0.438 . . . . 0.0 110.1 177.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.61 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.601 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -52.77 -54.41 34.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.281 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 73.5 mt -65.68 -31.79 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.025 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.56 -43.48 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.687 0.28 . . . . 0.0 110.634 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -56.27 -34.25 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.892 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.0 mt -79.48 -58.0 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.274 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' HB ' ' HB ' ' B' ' 31' ' ' VAL . 13.2 p -66.95 -30.95 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.76 47.72 4.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.91 -178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.001 -177.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -133.1 32.52 3.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.432 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 0.6 OUTLIER -67.22 -41.9 84.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.403 -173.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.3 -33.89 75.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 110.581 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 13.4 mm100 -71.82 -53.74 12.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.801 -173.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.551 ' HG ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.23 -27.13 63.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.661 -174.578 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.04 -38.56 83.1 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.067 0.229 . . . . 0.0 110.63 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -69.79 -50.71 40.46 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.86 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 33.1 mtmt -58.57 -51.01 71.72 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.153 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.79 -30.67 49.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.947 0.88 . . . . 0.0 109.019 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -76.69 -50.43 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.627 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.36 -56.76 17.09 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.606 0.363 . . . . 0.0 111.305 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.16 -51.71 30.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.367 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.3 -37.56 78.03 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.311 0.382 . . . . 0.0 111.149 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.4 t -61.86 -38.95 90.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.191 0.52 . . . . 0.0 109.672 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.7 -38.3 73.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.254 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -54.27 -51.53 64.27 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.61 -51.71 46.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.687 0.617 . . . . 0.0 111.114 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -60.47 -50.87 71.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.619 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.581 ' O ' HG21 ' B' ' 24' ' ' VAL . 86.9 mt -62.8 -43.54 98.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.823 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.04 -40.07 92.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -67.26 -41.82 84.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.16 -36.54 82.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.041 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.581 HG21 ' O ' ' B' ' 20' ' ' LEU . 80.6 t -58.43 -58.41 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 177.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.68 82.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.557 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -52.57 -54.4 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.282 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -65.75 -31.76 72.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.066 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.54 -43.4 94.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.571 0.224 . . . . 0.0 110.628 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -56.77 -33.68 66.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.981 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.62 -58.06 3.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.425 ' HB ' ' HB ' ' A' ' 31' ' ' VAL . 13.3 p -67.15 -30.89 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.81 47.71 4.7 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.848 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.122 -177.7 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -91.83 176.92 6.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.665 0.233 . . . . 0.0 110.577 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.6 ttm -65.81 -48.65 71.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.913 0.387 . . . . 0.0 110.142 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.47 -28.92 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.39 -44.02 96.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.911 0.386 . . . . 0.0 109.997 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 10' ' ' VAL . 95.6 mt -68.14 -35.85 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.1 -38.42 82.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.859 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -62.33 -44.59 96.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -56.59 -49.54 74.6 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.335 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 6' ' ' LEU . 59.5 t -57.36 -37.73 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 122.106 0.955 . . . . 0.0 108.86 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -53.7 17.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.981 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.03 -51.58 68.59 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 111.827 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -52.7 -34.99 54.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.712 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 10' ' ' VAL . 1.8 mm? -60.38 -45.68 92.66 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.822 0.344 . . . . 0.0 110.739 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -61.84 -38.82 89.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.849 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE2' HD23 ' A' ' 20' ' ' LEU . 22.6 tptm -66.55 -47.54 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.017 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 39.0 t30 -50.87 -54.64 22.2 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.96 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.85 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.993 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.83 -48.89 79.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.576 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.7 mm? -75.23 -35.95 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -176.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 48.6 mt-10 -57.64 -44.68 85.79 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.352 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 10.4 m120 -62.46 -46.72 87.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.985 177.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.76 -47.53 79.89 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.286 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 61.8 t -55.13 -53.27 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.554 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.91 72.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.324 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.5 mtt180 -64.17 -51.52 63.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.319 0.58 . . . . 0.0 110.058 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 57.6 mt -65.88 -24.73 66.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.801 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 71.4 mmtt -67.24 -52.73 37.36 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -64.1 -21.4 66.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.217 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 87.7 mt -76.85 -53.7 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.692 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.73 -31.95 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.59 92.2 0.42 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.527 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -91.75 177.34 6.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.692 0.246 . . . . 0.0 110.552 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 54.2 ttm -66.01 -49.0 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.35 -28.94 70.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.32 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -44.25 95.18 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.562 ' O ' HG22 ' B' ' 10' ' ' VAL . 95.5 mt -68.04 -36.17 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.183 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.74 -38.36 81.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.944 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.48 -44.52 96.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -56.59 -49.34 75.19 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.364 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 6' ' ' LEU . 59.1 t -57.69 -37.33 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 122.146 0.974 . . . . 0.0 108.869 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -53.51 16.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.933 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.85 -51.9 67.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -52.48 -34.64 50.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.775 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.495 HD21 ' O ' ' B' ' 10' ' ' VAL . 1.9 mm? -60.62 -45.97 92.03 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.671 0.272 . . . . 0.0 110.768 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -61.41 -38.96 88.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.987 0.422 . . . . 0.0 110.015 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.482 ' HE2' HD23 ' B' ' 20' ' ' LEU . 22.6 tptm -66.58 -47.67 72.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 38.6 t30 -50.98 -54.34 25.25 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.891 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -66.87 -33.43 75.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.052 -176.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -60.65 -49.0 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.65 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.576 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.8 mm? -74.91 -35.97 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.223 -176.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 47.7 mt-10 -57.93 -44.25 86.79 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.56 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.564 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 10.2 m120 -62.68 -47.01 85.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.87 177.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.55 -47.59 79.13 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.422 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 63.0 t -55.05 -53.36 34.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.605 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.81 72.12 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.254 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 64.4 mtt180 -64.24 -51.42 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.355 0.597 . . . . 0.0 109.996 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 58.0 mt -65.98 -24.81 66.86 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.725 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 71.4 mmtt -67.15 -52.97 35.02 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.76 -21.69 66.54 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.173 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 88.3 mt -76.92 -53.13 8.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.801 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.97 -32.2 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.66 92.33 0.42 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.21 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -85.1 176.71 8.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptm -68.26 -29.12 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.33 -47.53 81.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.269 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.05 -36.09 76.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.788 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.553 ' O ' HG22 ' A' ' 10' ' ' VAL . 92.6 mt -70.88 -37.73 73.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.094 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.58 -43.64 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.86 -31.59 71.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 67.6 mttm -69.0 -46.6 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.064 175.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 6' ' ' LEU . 84.7 t -56.91 -28.71 29.16 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -78.15 -59.49 2.76 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.469 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 9' ' ' LYS . 10.6 pt-20 -64.6 -44.22 91.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 111.565 -173.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.51 -41.53 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.624 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.95 -40.07 95.6 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.091 0.156 . . . . 0.0 110.851 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -57.31 -48.17 79.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.38 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 64.0 tttp -67.72 -39.28 84.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.537 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -56.43 -53.92 51.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.971 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.5 -36.64 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -61.17 -51.72 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 24' ' ' VAL . 91.5 mt -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.335 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -65.84 -22.79 66.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.75 0.31 . . . . 0.0 110.396 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 87.7 m-20 -69.4 -52.35 27.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.973 176.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.43 -41.87 86.02 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.723 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 20' ' ' LEU . 85.5 t -53.2 -53.12 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.059 0.457 . . . . 0.0 110.473 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.6 93.65 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.055 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 5.7 mmp_? -60.7 -52.3 65.71 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.972 0.415 . . . . 0.0 110.539 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 92.0 mt -61.53 -27.62 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.59 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -67.2 -50.75 59.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.4 -36.23 77.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.134 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 92.6 mt -68.74 -54.15 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.304 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.61 -17.08 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.79 63.16 3.82 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.41 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.51 178.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -85.48 176.67 8.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.1 ptm -68.03 -29.37 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.28 -47.3 82.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.854 0.359 . . . . 0.0 110.256 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.18 -36.15 76.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.733 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.549 ' O ' HG22 ' B' ' 10' ' ' VAL . 93.9 mt -70.72 -37.83 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.049 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.54 -43.55 96.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.79 -31.9 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.423 ' HA ' ' HG2' ' B' ' 12' ' ' GLU . 67.6 mttm -68.9 -46.4 68.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.109 175.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.549 HG22 ' O ' ' B' ' 6' ' ' LEU . 87.3 t -57.16 -28.63 30.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -78.32 -59.31 2.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.571 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' B' ' 9' ' ' LYS . 10.5 pt-20 -64.69 -44.38 90.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.459 -173.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.26 -41.61 93.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.655 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 122.202 0.201 . . . . 0.0 110.976 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 43.8 t -57.74 -47.9 81.16 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.319 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.9 tttp -67.67 -39.3 84.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.41 HD22 ' CG ' ' A' ' 16' ' ' LYS . 26.2 t-20 -56.33 -54.24 47.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.929 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.38 -36.5 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.443 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -61.28 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 24' ' ' VAL . 93.0 mt -60.9 -38.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.124 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.406 ' HB2' HD11 ' A' ' 20' ' ' LEU . 8.5 tt0 -65.76 -22.83 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.436 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 88.0 m-20 -69.25 -52.25 29.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.048 176.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.74 -41.77 87.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 20' ' ' LEU . 86.4 t -53.14 -53.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-O 121.145 0.497 . . . . 0.0 110.54 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.75 93.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.089 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.527 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 5.7 mmp_? -60.62 -52.55 64.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 110.462 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.506 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 91.7 mt -61.22 -27.76 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.58 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -67.18 -50.95 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -60.19 -36.67 78.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.01 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 92.2 mt -68.19 -54.28 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.349 -177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.55 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.63 62.68 3.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.399 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.497 178.611 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -150.92 131.71 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.37 -29.55 69.75 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.73 -50.93 69.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.037 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.7 tt0 -64.39 -53.13 53.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.043 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 0.1 OUTLIER -45.39 -51.89 10.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.106 177.154 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' N ' HD13 ' A' ' 6' ' ' LEU . 32.8 tt0 -52.97 -52.17 59.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 111.375 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.8 m-20 -68.73 -49.25 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.906 -176.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 20.8 mmmt -66.04 -44.85 83.44 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 p -60.62 -29.19 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.26 -52.63 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.913 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.5 mt-10 -55.95 -60.24 3.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.146 0.498 . . . . 0.0 111.033 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.5 mt -47.52 -48.08 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.072 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 tp -68.94 -44.12 73.69 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.211 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -58.51 -46.5 86.6 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 88.5 tttt -70.99 -39.17 72.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.396 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -54.82 -50.39 68.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.61 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.92 -45.01 78.84 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.293 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -64.8 -45.15 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 24' ' ' VAL . 92.4 mt -63.55 -46.88 83.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.018 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.3 -43.51 83.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 110.049 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.49 -33.22 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.8 -45.32 68.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.576 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 20' ' ' LEU . 98.9 t -53.29 -56.74 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 123.565 0.541 . . . . 0.0 110.124 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -41.65 79.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.182 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -62.91 -52.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.404 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 73.5 mt -63.78 -25.54 68.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.478 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 72.2 mmtt -62.64 -49.25 75.91 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.69 -30.04 69.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.29 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.9 -47.82 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -65.46 -31.59 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.181 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.57 -145.15 15.88 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.836 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.855 0.462 . . . . 0.0 110.128 -177.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -150.84 131.24 13.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.4 mmt -65.79 -29.57 70.08 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.673 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.2 -50.57 69.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.923 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 53.9 tt0 -64.43 -53.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.001 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.539 ' HG ' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -45.3 -51.75 10.6 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.213 177.064 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.49 ' N ' HD13 ' B' ' 6' ' ' LEU . 34.1 tt0 -53.2 -52.06 60.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 0.0 111.317 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 5.7 m-20 -68.92 -49.24 59.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.957 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 20.9 mmmt -65.95 -44.82 83.93 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 p -60.53 -29.22 44.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.33 -52.39 10.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.005 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.6 mt-10 -56.13 -59.98 4.14 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.202 0.525 . . . . 0.0 110.999 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -47.79 -48.19 30.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.946 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 tp -68.89 -44.18 73.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.365 -0.134 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.6 m -58.22 -46.75 85.31 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.4 tttt -71.06 -38.92 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.366 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -55.04 -50.51 68.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.589 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.72 -45.2 77.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.264 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -64.74 -45.39 86.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 24' ' ' VAL . 92.6 mt -63.29 -46.86 84.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.39 -43.56 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 110.041 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.5 -33.18 74.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.137 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.73 -45.14 68.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.609 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.543 HG22 ' O ' ' B' ' 20' ' ' LEU . 99.6 t -53.47 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.501 0.501 . . . . 0.0 110.138 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.25 -41.6 79.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.303 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -62.81 -52.53 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.481 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.6 mt -63.48 -25.67 68.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.505 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 72.2 mmtt -62.55 -49.06 76.77 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -60.81 -30.06 69.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.97 -47.98 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.569 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 27' ' ' LEU . 60.3 t -65.26 -31.74 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 111.132 176.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.9 -144.88 15.86 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.813 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.107 -177.776 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t 64.9 108.21 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.464 0.649 . . . . 0.0 111.865 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.9 mtt -69.24 -24.36 63.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -72.31 -49.46 34.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 53.4 tp60 -63.36 -44.05 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.479 0.18 . . . . 0.0 110.662 -178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 10' ' ' VAL . 91.9 mt -61.03 -37.03 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.347 . . . . 0.0 110.07 177.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.22 -43.39 98.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.655 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.31 -44.23 88.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.77 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 33.6 mtpt -58.39 -51.22 70.76 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.028 175.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 6' ' ' LEU . 97.4 t -55.23 -41.16 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-O 122.012 0.91 . . . . 0.0 108.916 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.49 -52.01 37.08 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.38 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.04 -57.8 11.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.981 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -50.86 -44.85 59.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.336 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 tp -63.65 -42.54 98.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.539 0.209 . . . . 0.0 110.967 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -60.55 -43.13 97.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.487 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -72.63 -40.83 66.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -52.61 -50.35 63.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.029 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.17 -30.36 71.0 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.438 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -60.92 -51.01 71.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.2 mm? -68.8 -35.34 76.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.616 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -52.65 -44.79 66.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.8 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -67.84 -43.59 79.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -48.66 80.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' LEU . 79.3 t -53.13 -50.97 43.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 123.589 0.556 . . . . 0.0 110.544 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.82 95.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.135 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 8.3 ttp180 -64.97 -45.64 84.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.687 0.28 . . . . 0.0 111.185 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 83.4 mt -63.67 -31.77 73.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.2 -45.27 81.36 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.12 -41.87 79.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.973 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 81.8 mt -64.76 -55.81 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.397 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.62 2.9 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.049 0.452 . . . . 0.0 111.664 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.47 49.37 3.18 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.87 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.529 177.034 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t 65.04 108.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.466 0.65 . . . . 0.0 111.906 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -69.04 -24.41 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.053 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -72.22 -49.44 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 51.8 tp60 -63.45 -44.11 95.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.261 -0.175 . . . . 0.0 110.713 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.578 ' O ' HG22 ' B' ' 10' ' ' VAL . 91.2 mt -60.86 -37.07 80.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.1 177.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.17 -43.72 97.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.62 177.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.07 -44.17 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.694 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 33.3 mtpt -58.26 -51.5 69.49 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.578 HG22 ' O ' ' B' ' 6' ' ' LEU . 96.4 t -55.08 -41.32 58.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-O 122.045 0.926 . . . . 0.0 108.996 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.22 -52.02 38.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.862 -1.517 . . . . 0.0 111.435 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.15 -57.85 10.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.965 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -50.84 -44.76 59.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.414 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.576 0.171 . . . . 0.0 110.962 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.6 m -60.44 -43.03 97.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.473 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -72.6 -41.17 65.9 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -52.39 -50.38 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.007 0.432 . . . . 0.0 109.922 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.36 -30.25 71.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.448 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -60.88 -51.17 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.499 ' O ' HG23 ' B' ' 24' ' ' VAL . 3.2 mm? -68.72 -35.24 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.86 -44.44 66.82 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.874 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -68.09 -43.33 78.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -48.68 80.7 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.957 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 20' ' ' LEU . 77.6 t -53.06 -51.06 42.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.69 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.09 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 8.4 ttp180 -65.06 -45.59 84.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.625 0.25 . . . . 0.0 111.23 -178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 83.5 mt -63.64 -31.63 72.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.481 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.14 -45.97 79.15 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.8 -41.4 77.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.043 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 82.4 mt -65.46 -55.19 19.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.429 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.96 2.92 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.683 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.28 48.69 3.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.935 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.684 177.328 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -80.91 67.91 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.034 0.445 . . . . 0.0 111.105 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.7 -43.68 62.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 7' ' ' GLU . 8.0 mtpm? -63.85 -28.94 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.09 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -60.21 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.402 . . . . 0.0 110.123 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.7 mt -71.21 -30.23 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.025 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . 34.9 tt0 -59.55 -42.15 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.687 177.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 12.0 m-20 -60.53 -45.79 92.54 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.489 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -53.99 -50.13 67.27 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.195 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' LEU . 64.3 t -58.51 -37.34 63.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 122.048 0.928 . . . . 0.0 108.776 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.52 -52.46 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.412 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 44.0 mt-10 -56.45 -59.84 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.146 0.498 . . . . 0.0 110.797 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.51 -40.2 50.72 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.132 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -52.97 -55.46 23.3 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.815 0.446 . . . . 0.0 110.73 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.4 t -53.81 -47.82 70.47 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.886 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.68 ' HD2' ' ND2' ' B' ' 17' ' ' ASN . 1.2 tmtp? -71.03 -39.85 72.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.133 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.693 ' ND2' ' HD2' ' B' ' 16' ' ' LYS . 21.9 t-20 -52.4 -49.76 63.83 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.707 177.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.54 -35.29 68.01 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.95 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -65.54 -53.15 46.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 16' ' ' LYS . 1.9 mm? -68.25 -28.45 67.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.541 -176.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.82 -38.46 90.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 13.3 m120 -73.76 -42.47 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.419 178.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.9 -42.89 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.141 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 20' ' ' LEU . 54.3 t -57.27 -50.78 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.421 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.06 76.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.203 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 64.6 mtp180 -64.85 -53.25 49.72 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.104 0.478 . . . . 0.0 110.469 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 82.7 mt -61.76 -25.78 67.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.42 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -68.42 -48.15 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.615 0.245 . . . . 0.0 110.656 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.26 -37.58 86.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.544 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 84.7 mt -65.53 -56.66 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 27' ' ' LEU . 5.7 p -82.76 16.3 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.428 0.632 . . . . 0.0 111.013 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.26 52.49 4.06 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.072 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.153 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -80.55 67.83 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.212 0.529 . . . . 0.0 111.049 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.7 mtp -72.44 -44.12 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' B' ' 7' ' ' GLU . 8.0 mtpm? -63.35 -29.09 70.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.136 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.26 -47.93 83.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.171 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 10' ' ' VAL . 96.4 mt -71.18 -30.19 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.045 178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.454 ' HB3' ' HA ' ' B' ' 4' ' ' LYS . 34.6 tt0 -59.58 -42.07 91.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.701 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 11.1 m-20 -60.73 -45.89 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.321 176.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -54.01 -49.93 67.75 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.259 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 6' ' ' LEU . 66.2 t -58.91 -37.0 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 122.003 0.906 . . . . 0.0 108.707 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -71.57 -52.54 17.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.422 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.9 mt-10 -56.39 -59.63 4.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.206 0.527 . . . . 0.0 111.019 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -50.62 -40.37 52.79 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.083 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 10' ' ' VAL . 0.1 OUTLIER -52.77 -55.3 23.86 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.426 0.454 . . . . 0.0 110.733 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.6 t -54.32 -47.28 72.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.693 ' HD2' ' ND2' ' A' ' 17' ' ' ASN . 1.2 tmtp? -71.32 -39.84 71.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.976 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.68 ' ND2' ' HD2' ' A' ' 16' ' ' LYS . 21.4 t-20 -52.26 -50.17 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.62 0.768 . . . . 0.0 110.744 177.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.1 -35.53 69.21 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.016 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -65.22 -53.15 48.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.528 HD23 ' O ' ' B' ' 16' ' ' LYS . 1.9 mm? -68.26 -28.79 67.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.628 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.7 -37.99 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 110.464 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 13.4 m120 -74.2 -42.67 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.81 -42.66 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.428 HG22 HD12 ' A' ' 20' ' ' LEU . 54.0 t -57.25 -51.07 74.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.924 0.392 . . . . 0.0 110.445 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.18 75.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.145 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 64.7 mtp180 -64.87 -53.24 49.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.06 0.457 . . . . 0.0 110.39 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 83.3 mt -61.9 -25.62 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.417 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.58 -48.12 65.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.665 0.269 . . . . 0.0 110.627 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -62.37 -37.18 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 85.4 mt -65.9 -56.53 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.142 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.467 HG11 ' O ' ' B' ' 27' ' ' LEU . 5.6 p -82.9 16.45 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.318 0.58 . . . . 0.0 111.087 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 52.4 4.09 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.031 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.247 0.974 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m -69.53 162.06 28.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.55 0.175 . . . . 0.0 111.263 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -56.62 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -61.73 -40.3 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.001 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.63 -46.01 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.88 -30.82 67.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -66.29 -32.14 73.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.962 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.28 -49.74 63.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -65.65 -46.38 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.725 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.07 -31.51 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.908 0.861 . . . . 0.0 108.693 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -79.36 -52.01 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.551 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.42 -52.62 64.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 111.257 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' B' ' 14' ' ' LEU . 88.0 mt -53.04 -46.14 68.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.559 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' HD11 ' B' ' 13' ' ' LEU . 67.1 tp -64.26 -40.82 96.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.447 0.165 . . . . 0.0 110.838 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -57.92 -46.03 85.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.4 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HE2' HD22 ' B' ' 17' ' ' ASN . 25.6 ttpt -72.58 -40.57 66.5 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.114 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.412 HD22 ' HE2' ' B' ' 16' ' ' LYS . 52.5 t-20 -52.54 -45.99 66.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.075 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.85 -38.18 67.13 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.254 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -63.33 -58.71 6.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.1 mm? -62.01 -38.71 89.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.805 -174.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.29 -43.63 83.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -79.1 -29.28 43.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.462 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.78 -35.11 69.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.866 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.4 t -57.18 -51.38 69.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.32 72.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.869 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' O ' HD13 ' A' ' 30' ' ' LEU . 79.8 ttt180 -60.29 -52.57 64.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.92 0.391 . . . . 0.0 110.507 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.4 mt -64.54 -23.15 67.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.678 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 70.7 mmtt -65.15 -51.36 61.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -63.89 -26.12 68.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 26' ' ' ARG . 2.0 mp -73.89 -52.37 13.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.872 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 27' ' ' LEU . 47.8 t -65.38 -30.63 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 111.602 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.46 6.6 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.14 -175.439 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -69.28 162.08 27.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.498 0.149 . . . . 0.0 111.307 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 67.7 mtt -56.49 -57.55 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -61.26 -40.02 92.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.13 -45.83 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.721 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.91 -30.92 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -66.27 -32.13 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.922 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.32 -49.67 63.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.043 0.449 . . . . 0.0 110.321 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.6 -46.44 79.33 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.844 -177.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.0 -31.68 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 122.053 0.93 . . . . 0.0 108.73 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -79.12 -52.02 8.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.73 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.19 -53.09 62.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.193 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 14' ' ' LEU . 87.7 mt -52.5 -46.39 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.619 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.401 ' HB2' HD11 ' A' ' 13' ' ' LEU . 67.4 tp -64.33 -40.56 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.85 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -58.11 -46.15 86.06 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.816 0.341 . . . . 0.0 110.407 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.412 ' HE2' HD22 ' A' ' 17' ' ' ASN . 25.5 ttpt -72.34 -40.49 67.35 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.438 HD22 ' HE2' ' A' ' 16' ' ' LYS . 52.3 t-20 -52.62 -46.19 66.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.052 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.6 -38.09 66.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.309 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.54 -58.49 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.986 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.519 ' O ' HG23 ' B' ' 24' ' ' VAL . 3.1 mm? -62.32 -38.48 89.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -174.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.62 -43.42 84.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.418 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -79.32 -28.88 42.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.4 -34.51 67.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.759 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 20' ' ' LEU . 62.2 t -57.54 -51.52 68.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.405 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -54.61 -43.22 72.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.838 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.426 ' O ' HD13 ' B' ' 30' ' ' LEU . 79.9 ttt180 -60.52 -52.45 65.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.916 0.389 . . . . 0.0 110.497 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 78.6 mt -64.47 -23.46 67.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.593 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 70.7 mmtt -64.91 -51.61 60.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 25' ' ' ALA . 3.8 mptp? -63.56 -26.43 68.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.426 HD13 ' O ' ' B' ' 26' ' ' ARG . 2.1 mp -73.78 -52.15 14.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.821 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 27' ' ' LEU . 47.5 t -65.4 -30.84 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.716 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.68 35.85 6.7 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.101 -175.125 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.959 -0.457 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -86.71 3.03 46.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.636 0.255 . . . . 0.0 110.838 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.0 -34.95 74.02 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.14 -34.39 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.044 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 14.3 mm100 -68.53 -43.51 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 109.801 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.17 -33.61 65.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.315 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.619 ' O ' HG11 ' A' ' 10' ' ' VAL . 27.4 tt0 -69.66 -38.32 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.876 -178.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -45.17 87.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.097 0.475 . . . . 0.0 110.323 175.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 23.4 mtmt -69.13 -43.91 73.42 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.619 HG11 ' O ' ' A' ' 7' ' ' GLU . 4.3 p -60.48 -29.45 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 41.1 mt-10 -78.43 -52.2 8.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.734 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.54 -59.86 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.25 -44.32 71.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.5 -41.68 98.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.431 0.158 . . . . 0.0 111.297 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -59.89 -44.9 93.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 85.7 tttt -66.86 -41.27 87.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.211 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -53.91 -51.38 63.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.699 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.74 -45.18 86.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.017 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -62.04 -44.66 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.9 mt -62.17 -44.15 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.811 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.8 -38.87 86.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 110.333 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.04 -36.66 80.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.975 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -72.16 -35.31 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.814 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 20' ' ' LEU . 92.6 t -56.55 -56.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 109.891 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.73 82.71 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.495 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 75.6 ttt180 -53.91 -56.26 19.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.049 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.3 mt -65.33 -28.35 69.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.066 -177.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.6 -49.68 61.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.635 0.255 . . . . 0.0 110.625 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -72.96 -1.04 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.015 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 84.2 mt -95.18 -57.17 2.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.645 0.26 . . . . 0.0 110.749 171.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.416 ' HB ' ' HB ' ' B' ' 31' ' ' VAL . 9.5 p -69.21 -30.94 47.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.41 19.62 42.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.925 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.983 -178.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -86.64 2.31 48.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.47 -35.05 73.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -33.96 72.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.184 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 14.2 mm100 -68.7 -43.69 75.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 109.795 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.13 -33.72 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.266 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.628 ' O ' HG11 ' B' ' 10' ' ' VAL . 28.0 tt0 -69.41 -38.39 77.9 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.944 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -45.1 88.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 175.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 23.3 mtmt -69.18 -43.68 73.71 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.736 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.628 HG11 ' O ' ' B' ' 7' ' ' GLU . 4.3 p -60.71 -29.3 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -176.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' B' ' 7' ' ' GLU . 41.5 mt-10 -78.43 -52.46 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.733 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -53.44 -59.92 3.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.28 0.562 . . . . 0.0 111.142 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -54.31 -44.06 71.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.161 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.55 -42.23 98.38 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 121.904 0.081 . . . . 0.0 110.994 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.9 t -59.29 -45.17 91.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.7 tttt -66.76 -41.16 88.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -53.97 -51.33 64.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.675 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -45.42 85.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.988 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -62.03 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 24' ' ' VAL . 95.9 mt -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.752 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.54 -39.31 87.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.64 -36.85 81.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -71.92 -35.39 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.802 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 20' ' ' LEU . 92.8 t -56.63 -55.91 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 109.892 175.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.77 82.92 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.461 177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -53.8 -56.47 17.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.246 0.546 . . . . 0.0 110.977 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.498 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 76.8 mt -65.07 -28.34 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.087 -177.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -67.69 -49.65 61.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.72 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -72.84 -1.08 15.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.171 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.2 -57.23 2.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.755 171.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.416 ' HB ' ' HB ' ' A' ' 31' ' ' VAL . 9.7 p -69.08 -30.7 47.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.26 18.89 44.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.797 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.216 -178.562 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t 62.09 97.65 0.03 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.408 0.623 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtt -63.11 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -67.7 -49.3 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.563 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.73 -44.75 86.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 10' ' ' VAL . 96.7 mt -70.71 -30.82 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -178.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.5 -48.26 73.18 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.979 0.419 . . . . 0.0 110.103 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.72 -32.91 74.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.422 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -60.42 -54.4 46.03 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.976 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 6' ' ' LEU . 72.4 t -57.48 -37.7 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.742 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.4 -51.14 68.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.025 -1.443 . . . . 0.0 111.294 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.12 -66.92 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.025 0.441 . . . . 0.0 111.135 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -49.15 -38.3 24.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.23 -43.39 95.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.4 -0.188 . . . . 0.0 111.248 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.2 p -66.78 -31.97 72.95 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.767 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -65.73 -49.82 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.084 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.524 ' C ' HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -54.59 -45.16 73.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.225 179.182 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.25 -48.88 76.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 67.4 m170 -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.995 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' VAL . 70.0 mt -60.58 -39.65 88.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.196 -176.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.0 mm-40 -59.34 -41.53 89.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -73.75 -33.15 64.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.605 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 17.1 mm-40 -61.93 -47.56 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.318 176.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 20' ' ' LEU . 87.5 t -57.36 -52.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.102 177.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.97 83.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.008 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.69 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.7 mt -64.5 -26.15 68.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.889 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -62.81 -46.7 86.74 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.39 -41.57 85.14 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.529 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.9 -50.46 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.701 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 27' ' ' LEU . 39.8 t -64.32 -25.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.26 -10.7 85.38 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.622 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.888 178.262 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t 62.3 97.54 0.03 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.303 0.573 . . . . 0.0 111.238 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -67.66 -49.17 64.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.017 0.437 . . . . 0.0 110.615 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.492 ' O ' HG22 ' B' ' 10' ' ' VAL . 96.8 mt -70.84 -30.69 67.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.841 -178.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.37 -48.39 73.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.166 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.81 -32.68 74.49 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -60.57 -54.48 44.86 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.935 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 6' ' ' LEU . 72.6 t -57.35 -37.59 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-O 121.881 0.848 . . . . 0.0 108.77 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.68 -51.23 68.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.226 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -59.84 -66.83 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.276 -177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -49.34 -38.02 26.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.47 -43.5 94.02 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.399 -0.188 . . . . 0.0 111.261 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -66.67 -31.79 72.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.828 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -65.83 -49.74 67.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.036 174.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.524 ' C ' HD21 ' B' ' 17' ' ' ASN . 0.1 OUTLIER -54.59 -45.09 73.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.362 179.212 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -63.43 -49.04 75.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.869 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 67.4 m170 -63.02 -51.29 67.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.006 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.562 ' O ' HG23 ' B' ' 24' ' ' VAL . 70.2 mt -60.89 -39.43 89.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.317 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 1.9 mm-40 -59.28 -42.0 90.2 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.663 0.268 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -73.63 -32.64 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.664 0.269 . . . . 0.0 110.799 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 17.1 mm-40 -61.96 -47.85 83.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.405 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.4 t -57.36 -52.64 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.091 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.17 82.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.67 -53.13 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 89.5 mt -64.73 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.803 -177.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -63.2 -46.51 86.71 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.33 -41.82 85.44 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.588 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.72 -50.53 72.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.701 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 27' ' ' LEU . 39.7 t -64.31 -25.39 37.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.985 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.4 -10.62 85.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.66 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.042 178.01 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m 60.05 29.93 19.45 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 122.735 0.414 . . . . 0.0 111.34 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mtp -65.57 -42.9 91.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.243 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HZ3' ' HB2' ' A' ' 4' ' ' LYS . 3.9 ttmp? -65.45 -35.25 80.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.991 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 52.2 tt0 -64.82 -49.19 71.61 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.118 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.72 -29.62 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.385 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.39 -41.94 96.38 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.872 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.7 -46.36 89.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.223 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 10.5 mmmm -58.78 -54.53 46.1 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.65 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.55 -33.61 55.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.524 0.678 . . . . 0.0 109.537 -173.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -75.96 -48.95 19.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.121 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -56.77 -60.6 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -53.69 -39.69 65.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.733 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.05 -45.82 83.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.586 0.231 . . . . 0.0 111.007 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 p -72.75 -27.22 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 0.0 110.351 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -69.39 -49.31 56.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.48 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -55.46 -42.3 74.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.303 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -55.28 -37.68 67.61 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.971 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.491 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 30.9 t-80 -67.13 -55.76 12.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.561 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mm? -66.45 -40.5 89.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.603 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.59 -41.29 85.45 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.553 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.0 m-20 -71.93 -37.59 69.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 32.0 mm-40 -64.84 -39.59 93.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.786 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 75.5 t -55.87 -50.52 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.064 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' O ' ' HD2' ' A' ' 29' ' ' LYS . . . -55.12 -43.43 74.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.682 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 37.9 mmt180 -61.12 -53.85 51.85 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.162 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' HG12 ' A' ' 31' ' ' VAL . 84.8 mt -62.16 -23.23 66.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.482 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 31.1 mmtp -66.04 -55.92 14.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.855 -0.157 . . . . 0.0 111.013 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -76.21 -6.79 52.95 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.111 -176.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 26' ' ' ARG . 3.4 mp -82.78 -56.74 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.008 173.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 27' ' ' LEU . 12.4 p -67.43 -31.17 51.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.91 -37.78 3.31 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.176 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.449 ' H ' HG11 ' A' ' 31' ' ' VAL . 38.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 122.928 0.491 . . . . 0.0 110.295 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m 59.76 29.98 19.55 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 122.787 0.435 . . . . 0.0 111.478 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mtp -65.49 -42.63 91.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' B' ' 4' ' ' LYS . 3.9 ttmp? -66.11 -34.48 78.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 52.2 tt0 -65.27 -48.94 71.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.874 0.369 . . . . 0.0 110.132 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -29.69 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.32 -41.9 96.59 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.889 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.99 -45.91 91.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.176 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 10.6 mmmm -58.94 -54.42 47.31 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.738 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 p -60.57 -33.74 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 121.55 0.69 . . . . 0.0 109.599 -173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.81 -49.0 19.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.106 177.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -56.66 -60.65 3.24 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -53.75 -39.47 65.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.851 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp -65.15 -45.89 83.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.462 0.172 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -72.7 -27.4 62.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 110.392 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -69.18 -49.31 57.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.516 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -55.63 -41.95 74.24 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.302 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.69 -37.45 68.37 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.999 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 30.9 t-80 -67.41 -55.28 14.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.504 ' O ' HG23 ' B' ' 24' ' ' VAL . 3.3 mm? -66.82 -40.32 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.588 -173.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.8 -41.31 86.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 0.0 110.793 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.5 m-20 -71.81 -37.94 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.911 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 33.5 mm-40 -64.35 -39.93 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.905 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 75.2 t -55.74 -50.73 65.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.059 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.41 ' O ' ' HD2' ' B' ' 29' ' ' LYS . . . -54.85 -43.45 73.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.752 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 37.8 mmt180 -60.87 -54.3 46.77 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.094 0.473 . . . . 0.0 110.141 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.474 ' O ' HG12 ' B' ' 31' ' ' VAL . 83.9 mt -62.04 -23.3 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.456 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 30.9 mmtp -65.97 -55.72 15.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.99 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -76.57 -6.19 50.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.052 -176.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.447 HD13 ' O ' ' B' ' 26' ' ' ARG . 3.4 mp -83.19 -56.68 3.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 173.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.474 HG12 ' O ' ' B' ' 27' ' ' LEU . 12.4 p -67.53 -31.14 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -39.17 2.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.089 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.442 ' H ' HG11 ' B' ' 31' ' ' VAL . 38.4 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.893 0.477 . . . . 0.0 110.346 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -84.97 68.28 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.114 0.483 . . . . 0.0 110.516 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.0 ttt -71.95 -35.74 69.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -64.52 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 7.3 tt0 -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 109.775 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' VAL . 81.6 mt -67.35 -30.66 70.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.688 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.3 -47.49 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -74.2 -22.62 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.2 mmmt -69.22 -53.92 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 177.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.458 ' O ' HD23 ' A' ' 14' ' ' LEU . 90.0 t -58.62 -29.37 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -74.35 -53.09 10.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.334 -1.757 . . . . 0.0 110.904 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.74 -55.14 38.01 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.39 0.614 . . . . 0.0 110.568 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.4 mt -49.41 -41.58 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.723 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.3 mm? -57.19 -48.37 78.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.638 0.256 . . . . 0.0 110.933 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 -39.8 87.2 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.026 0.441 . . . . 0.0 110.286 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -68.62 -45.85 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.193 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.0 -50.28 69.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.124 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.44 0.463 . . . . 0.0 110.581 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -59.07 -52.31 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.856 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.61 ' O ' HG21 ' A' ' 24' ' ' VAL . 73.6 mt -65.0 -50.75 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.762 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.44 -39.09 78.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.945 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -69.89 -45.17 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.18 -27.96 63.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.6 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 ' O ' ' A' ' 20' ' ' LEU . 53.1 t -54.88 -54.97 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.158 0.504 . . . . 0.0 109.859 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.1 86.86 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.425 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.6 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 43.1 ttm180 -57.87 -49.57 76.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 86.2 mt -62.87 -33.1 74.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.697 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.58 -43.59 72.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.414 0.149 . . . . 0.0 111.237 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 18.7 pttp -69.8 -17.15 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.804 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 88.1 mt -81.9 -55.84 4.35 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.978 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -65.6 -30.36 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.606 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.21 39.99 2.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.988 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.5 tt0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.064 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -84.68 68.62 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.11 -35.72 69.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.366 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -64.78 -31.61 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 7.4 tt0 -62.13 -41.32 98.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 109.805 174.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.416 ' O ' HG22 ' B' ' 10' ' ' VAL . 81.6 mt -67.42 -30.72 70.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -57.08 -47.78 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.652 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -73.94 -22.76 59.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 31.2 mmmt -69.18 -53.93 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 177.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.45 ' O ' HD23 ' B' ' 14' ' ' LEU . 86.1 t -58.45 -29.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -74.58 -53.17 9.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.443 -1.708 . . . . 0.0 110.952 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.4 -55.25 35.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.419 0.628 . . . . 0.0 110.649 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 89.3 mt -49.37 -41.72 39.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.693 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 10' ' ' VAL . 1.3 mm? -56.96 -48.63 77.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.577 0.227 . . . . 0.0 110.892 176.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 29.8 t -60.13 -39.5 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.093 0.473 . . . . 0.0 110.294 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -68.71 -45.78 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.171 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -54.94 -50.3 69.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.129 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.5 -48.4 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.417 0.448 . . . . 0.0 110.618 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.88 -52.33 66.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.615 ' O ' HG21 ' B' ' 24' ' ' VAL . 75.2 mt -64.77 -50.86 65.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.6 -39.03 79.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.034 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -69.86 -44.94 68.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.45 -27.79 63.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.569 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.615 HG21 ' O ' ' B' ' 20' ' ' LEU . 52.9 t -55.12 -55.29 17.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.142 0.496 . . . . 0.0 109.806 172.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.97 85.21 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.366 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.593 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 43.1 ttm180 -57.85 -49.94 74.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 86.9 mt -62.55 -33.27 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.818 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.29 -44.36 71.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.601 0.239 . . . . 0.0 111.177 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 18.6 pttp -69.3 -16.79 63.64 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.925 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 88.9 mt -82.33 -55.92 4.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.708 0.289 . . . . 0.0 110.942 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 p -65.65 -30.27 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 120.611 0.243 . . . . 0.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.04 39.98 2.58 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.834 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 45.1 tt0 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.996 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' HB3' HE21 ' A' ' 5' ' ' GLN . 51.0 m 63.07 38.81 10.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.033 0.444 . . . . 0.0 111.718 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.61 -35.58 78.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.847 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.84 -25.61 67.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.223 177.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.438 ' HA ' ' OD2' ' A' ' 8' ' ' ASP . 35.4 mt-30 -77.81 -23.65 49.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.701 0.286 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 10' ' ' VAL . 75.3 mt -68.12 -36.98 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 6.4 mm-40 -62.28 -40.14 95.26 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.716 176.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 5' ' ' GLN . 70.5 m-20 -54.56 -48.87 71.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.3 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -52.81 -56.94 12.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.156 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 6' ' ' LEU . 61.8 t -55.48 -44.92 77.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.797 -173.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 60.1 mm-40 -68.38 -48.03 65.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.463 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.39 -61.96 2.0 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.146 0.498 . . . . 0.0 111.101 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.01 -40.67 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.455 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.24 -41.64 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.291 0.091 . . . . 0.0 111.061 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -61.42 -42.31 98.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.074 0.464 . . . . 0.0 110.619 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.8 tmtp? -68.85 -43.17 76.01 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -51.94 -49.49 63.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.379 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.51 -44.69 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.182 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -59.14 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.244 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' O ' HG22 ' A' ' 24' ' ' VAL . 96.4 mt -66.1 -45.54 80.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -37.92 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.999 0.428 . . . . 0.0 110.024 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.1 -41.55 81.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.04 -38.82 92.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.89 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 20' ' ' LEU . 91.4 t -57.4 -57.5 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.195 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.8 79.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.456 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' O ' HD23 ' A' ' 30' ' ' LEU . 73.1 ttt180 -53.06 -59.4 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.902 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.517 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.3 mt -62.42 -27.97 69.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.031 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 86.4 mttt -65.22 -47.55 76.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.645 0.26 . . . . 0.0 110.651 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -77.55 -4.73 47.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.617 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 26' ' ' ARG . 2.7 mm? -94.03 -23.9 17.83 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG11 ' O ' ' A' ' 27' ' ' LEU . 15.5 m -65.88 -13.1 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.121 0.418 . . . . 0.0 112.107 -178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 61.2 0.12 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.576 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.501 -0.762 . . . . 0.0 110.078 -177.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.408 ' HB3' HE21 ' B' ' 5' ' ' GLN . 47.4 m 63.26 38.84 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.87 -35.32 77.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.85 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.484 ' H ' ' HD2' ' B' ' 4' ' ' LYS . 0.0 OUTLIER -65.79 -25.74 67.39 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.347 177.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.448 ' HA ' ' OD2' ' B' ' 8' ' ' ASP . 35.5 mt-30 -77.78 -23.65 49.12 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 10' ' ' VAL . 75.0 mt -68.06 -37.0 80.78 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 6.3 mm-40 -62.16 -40.53 96.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.638 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.448 ' OD2' ' HA ' ' B' ' 5' ' ' GLN . 68.2 m-20 -54.35 -48.97 70.83 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.336 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -52.63 -56.92 11.97 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.211 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 6' ' ' LEU . 60.6 t -55.32 -45.4 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.639 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 59.2 mm-40 -68.2 -47.78 66.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.549 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.5 -61.94 2.0 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.172 0.51 . . . . 0.0 111.225 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.97 -40.73 63.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.436 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.19 -41.7 89.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.392 0.139 . . . . 0.0 111.052 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.1 m -61.35 -42.46 98.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.608 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.7 tmtp? -68.56 -43.19 77.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.37 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -51.98 -49.64 62.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.274 175.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -60.41 -44.96 95.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.007 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -58.97 -39.96 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.566 ' O ' HG22 ' B' ' 24' ' ' VAL . 96.2 mt -66.19 -45.56 80.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -37.72 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.919 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.18 -41.62 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.98 -38.84 92.57 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.972 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.566 HG22 ' O ' ' B' ' 20' ' ' LEU . 91.8 t -57.44 -57.58 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.161 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -43.66 79.37 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.498 ' O ' HD23 ' B' ' 30' ' ' LEU . 73.0 ttt180 -53.23 -59.45 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.954 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.525 ' O ' HG11 ' B' ' 31' ' ' VAL . 75.2 mt -62.4 -28.03 69.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.006 -176.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' B' ' 24' ' ' VAL . 87.4 mttt -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.592 0.234 . . . . 0.0 110.641 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -77.5 -5.03 48.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.588 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 26' ' ' ARG . 2.7 mm? -93.59 -24.37 17.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.525 HG11 ' O ' ' B' ' 27' ' ' LEU . 14.3 m -66.1 -12.41 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.03 61.5 0.12 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.616 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.843 -177.835 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.919 -0.472 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 17.5 m -120.15 145.13 47.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.9 tpt -50.63 -57.04 9.17 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -171.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -68.35 -36.99 80.04 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 44.3 mt-30 -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.099 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.8 mt -74.35 -49.47 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.825 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.75 -36.95 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.268 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -69.23 -34.17 74.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -59.97 -50.81 72.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.588 175.008 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 6' ' ' LEU . 85.4 t -54.3 -39.23 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.933 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.39 -50.42 63.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.952 -1.476 . . . . 0.0 111.258 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.1 -57.4 10.74 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.293 0.568 . . . . 0.0 110.573 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.0 mt -43.31 -45.29 5.9 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.944 -1.026 . . . . 0.0 113.143 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD21 ' O ' ' A' ' 10' ' ' VAL . 2.2 mm? -55.09 -50.37 69.34 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.64 0.257 . . . . 0.0 111.162 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -60.48 -41.13 93.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.42 -50.14 64.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.559 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.755 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -33.15 70.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.32 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 16.4 t-80 -59.87 -47.03 87.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.613 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.3 mm? -71.12 -34.75 71.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.99 -37.97 75.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 109.883 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -47.76 71.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.777 177.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 33.8 mm-40 -60.76 -47.78 84.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.822 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 20' ' ' LEU . 65.1 t -54.34 -52.55 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.82 83.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.035 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 34.3 ttm180 -62.93 -53.05 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.298 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 95.5 mt -60.31 -28.05 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.587 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -69.69 -47.55 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.933 0.397 . . . . 0.0 109.978 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 7.2 mtpm? -61.7 -36.75 81.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 174.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -67.69 -54.78 16.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.665 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.97 -18.22 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 120.708 0.289 . . . . 0.0 111.593 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.56 -5.96 89.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.417 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.252 178.252 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.516 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 17.0 m -120.18 145.28 47.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -50.54 -57.18 8.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -171.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -68.25 -36.8 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' B' ' 9' ' ' LYS . 43.7 mt-30 -65.84 -27.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.048 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.54 ' O ' HG23 ' B' ' 10' ' ' VAL . 96.5 mt -74.33 -49.54 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.753 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.87 -36.81 84.47 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.205 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.28 -33.97 74.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.433 . . . . 0.0 110.354 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -60.14 -50.84 72.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.557 175.036 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 6' ' ' LEU . 85.6 t -54.27 -39.29 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.904 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.37 -50.32 63.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.054 -1.43 . . . . 0.0 111.348 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.22 -57.25 11.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.348 0.595 . . . . 0.0 110.495 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.1 mt -43.39 -45.28 6.09 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 114.862 -1.063 . . . . 0.0 113.086 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.503 HD21 ' O ' ' B' ' 10' ' ' VAL . 2.2 mm? -55.05 -50.5 68.95 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.752 0.251 . . . . 0.0 111.264 177.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -60.64 -40.75 93.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.541 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -49.5 65.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.517 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -57.33 -51.7 68.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.71 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -33.08 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.36 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.466 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 16.2 t-80 -59.98 -47.07 87.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.565 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.4 mm? -70.74 -34.86 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -176.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -57.76 -38.67 75.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 109.982 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -47.82 72.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 36.6 mm-40 -60.66 -47.93 84.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.882 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.437 HG21 ' O ' ' B' ' 20' ' ' LEU . 66.7 t -54.28 -52.68 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 -43.48 83.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.005 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.438 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 34.3 ttm180 -63.24 -52.9 60.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.031 0.443 . . . . 0.0 110.352 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.5 mt -60.44 -27.98 67.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.598 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -69.7 -47.5 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.527 ' HZ2' ' HB3' ' B' ' 29' ' ' LYS . 7.3 mtpm? -61.92 -36.14 80.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.771 174.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 91.5 mt -68.4 -54.33 17.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.591 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.17 -18.33 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 120.729 0.3 . . . . 0.0 111.64 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.45 -6.1 89.47 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.16 178.259 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -83.25 177.06 8.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.244 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.02 -41.76 99.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -59.36 -41.89 90.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.961 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.5 -42.63 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.294 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.94 -32.22 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.503 ' O ' HG12 ' A' ' 10' ' ' VAL . 36.6 tt0 -66.73 -42.34 86.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 0.0 110.522 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.73 -32.05 71.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.545 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.49 -45.82 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.615 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 7' ' ' GLU . 9.9 p -58.68 -25.9 29.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.44 -55.11 5.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.244 175.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.65 -61.12 2.52 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.161 0.505 . . . . 0.0 111.111 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.75 -51.42 39.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.796 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.97 -41.36 91.79 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 p -66.4 -28.0 68.28 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.414 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.6 tttt -76.55 -40.24 50.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.205 175.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 18.5 m120 -52.65 -51.31 60.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -50.9 -49.64 58.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.203 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 22.9 t-80 -61.19 -44.79 96.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.819 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' HG22 ' A' ' 24' ' ' VAL . 33.6 mt -65.13 -43.99 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -178.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 39.0 mt-10 -58.56 -38.32 77.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.847 0.356 . . . . 0.0 110.542 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -47.64 77.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.854 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 59.0 mm-40 -58.13 -46.81 84.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 20' ' ' LEU . 93.9 t -54.62 -50.78 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.567 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.19 -48.06 83.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.436 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -61.58 -50.47 72.51 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 95.8 mt -61.62 -29.67 70.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.433 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.32 -46.61 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -57.47 -42.91 83.52 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.71 -49.87 73.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.493 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 27' ' ' LEU . 57.9 t -65.3 -28.55 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.601 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.19 -44.93 96.07 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.707 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.097 179.558 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -83.27 177.17 8.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.706 0.288 . . . . 0.0 111.276 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.0 ttm -63.27 -41.71 99.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.957 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.48 -42.59 87.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.386 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.92 -32.27 67.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.514 ' O ' HG12 ' B' ' 10' ' ' VAL . 36.3 tt0 -66.37 -42.69 87.63 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.64 -31.97 71.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 110.517 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' B' ' 9' ' ' LYS . 30.5 mmtt -79.56 -45.67 18.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.619 -177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.514 HG12 ' O ' ' B' ' 7' ' ' GLU . 9.9 p -58.82 -25.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -79.46 -55.33 5.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.199 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.53 -61.05 2.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.057 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.0 mt -49.79 -51.52 38.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.857 177.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.94 -41.47 91.91 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p -66.37 -27.76 68.12 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.502 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 84.5 tttt -76.67 -40.19 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.289 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.571 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 18.6 m120 -52.64 -51.37 60.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -50.87 -49.53 58.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.271 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 23.2 t-80 -61.12 -44.8 96.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 24' ' ' VAL . 34.6 mt -65.22 -44.04 89.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 -178.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 39.1 mt-10 -58.58 -38.42 77.86 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.821 0.343 . . . . 0.0 110.368 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.77 -47.53 77.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 58.5 mm-40 -58.25 -46.66 85.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.255 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.543 HG22 ' O ' ' B' ' 20' ' ' LEU . 93.4 t -54.73 -50.93 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.597 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.01 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.443 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -61.51 -50.89 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 0.0 110.425 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.5 mt -61.1 -29.7 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.432 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.4 -46.44 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.034 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -57.71 -42.85 84.58 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.72 -49.84 73.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.45 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 27' ' ' LEU . 57.6 t -65.44 -28.47 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.71 -45.66 94.48 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.864 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.001 179.717 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.716 -0.554 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 5' ' ' GLN . 15.7 m -124.59 28.96 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.034 0.445 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.9 tpt -63.98 -46.29 85.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.284 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.37 -22.36 66.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.518 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.437 ' HB3' ' O ' ' A' ' 2' ' ' SER . 56.0 tp60 -61.96 -46.15 90.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.108 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 6.9 mp -74.23 -29.51 61.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.276 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 71.8 mm-40 -56.98 -56.9 15.77 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.456 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -59.93 -36.56 77.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.622 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -56.6 -57.19 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.096 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 6' ' ' LEU . 94.2 t -56.78 -34.02 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 122.17 0.986 . . . . 0.0 108.674 -176.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 42.5 mt-10 -77.16 -46.7 22.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.691 -1.595 . . . . 0.0 112.361 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.06 -55.81 28.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.5 mt -55.55 -40.5 71.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.092 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -64.78 -42.19 95.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.069 0.147 . . . . 0.0 111.009 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -62.57 -38.35 89.75 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.019 0.438 . . . . 0.0 110.692 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 22.9 tptm -71.33 -44.71 64.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.938 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -51.57 -46.51 63.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.97 -49.75 74.76 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.503 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.7 -36.41 80.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.878 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 24' ' ' VAL . 90.8 mt -61.87 -46.8 87.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -38.41 70.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.149 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.59 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 91.8 m-20 -63.99 -53.04 56.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.66 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -59.61 -38.94 82.63 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 20' ' ' LEU . 79.3 t -54.9 -54.29 25.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 110.108 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.42 -45.64 92.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.089 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 82.8 mtp180 -56.45 -57.56 11.77 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.103 0.478 . . . . 0.0 110.872 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.7 mt -60.93 -31.72 71.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.815 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -71.88 -45.59 60.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 64.4 pttt -67.97 -14.82 63.27 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.66 0.267 . . . . 0.0 110.959 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 90.5 mt -86.96 -57.18 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.924 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.64 -30.76 46.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.55 59.62 0.42 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.079 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.025 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 15.1 m -124.73 29.06 6.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.265 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.2 -46.15 85.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.309 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.25 -22.56 66.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.486 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.442 ' HB3' ' O ' ' B' ' 2' ' ' SER . 55.6 tp60 -62.06 -46.01 91.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.901 0.382 . . . . 0.0 110.08 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 6.9 mp -74.18 -29.65 61.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.312 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 72.2 mm-40 -56.68 -57.25 13.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.593 0.235 . . . . 0.0 110.473 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -59.62 -36.71 76.87 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -56.57 -57.16 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.202 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 6' ' ' LEU . 93.1 t -56.73 -34.12 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.647 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' B' ' 7' ' ' GLU . 43.0 mt-10 -77.29 -46.54 22.72 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 113.724 -1.58 . . . . 0.0 112.377 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -55.81 28.48 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.093 0.473 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.46 -40.67 71.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.102 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.76 -42.13 95.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.037 0.135 . . . . 0.0 110.977 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.8 m -62.63 -38.33 89.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 0.0 110.535 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 23.0 tptm -71.33 -44.71 64.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.944 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -51.48 -46.7 63.22 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.887 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.79 -49.74 74.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.606 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.68 -36.62 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.587 ' O ' HG23 ' B' ' 24' ' ' VAL . 91.9 mt -61.77 -46.86 87.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.27 70.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.22 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.589 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 91.5 m-20 -64.1 -52.91 56.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.65 176.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -59.7 -38.91 82.91 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.08 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 20' ' ' LEU . 78.7 t -54.84 -54.43 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.015 0.436 . . . . 0.0 110.161 176.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.04 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.926 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.597 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 82.8 mtp180 -56.21 -57.39 12.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.829 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.3 mt -61.11 -31.63 71.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.746 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -72.14 -45.08 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 64.7 pttt -68.56 -14.26 62.89 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.7 mt -87.47 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.855 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.68 -30.75 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.73 59.25 0.42 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.122 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.539 -0.744 . . . . 0.0 109.214 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -73.76 156.87 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.633 0.216 . . . . 0.0 110.525 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.0 mtt -57.85 -59.62 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -24.5 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.378 . . . . 0.0 110.932 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -68.64 -49.59 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.334 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 10' ' ' VAL . 94.6 mt -69.99 -35.8 74.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.903 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.31 -44.43 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.765 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.6 m-20 -59.25 -42.26 90.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -61.33 -43.66 98.51 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 6' ' ' LEU . 87.1 t -56.06 -35.45 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.33 -51.85 13.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.497 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.1 mt-10 -55.24 -61.55 2.25 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 111.483 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.08 -38.57 65.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.3 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.72 -41.49 83.4 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -60.68 -42.69 97.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.997 0.427 . . . . 0.0 110.045 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HE3' HD22 ' B' ' 17' ' ' ASN . 63.9 tttp -67.29 -43.16 82.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.369 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.508 HD22 ' HE3' ' B' ' 16' ' ' LYS . 4.8 t30 -54.58 -42.14 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.96 -38.51 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.658 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 53.7 t60 -54.81 -51.85 64.51 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.64 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.4 mm? -68.33 -40.54 81.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.613 -175.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.46 -42.9 74.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.679 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -64.03 -45.08 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.857 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.14 -40.69 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.936 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG21 HD12 ' B' ' 20' ' ' LEU . 54.4 t -54.19 -51.69 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.162 0.506 . . . . 0.0 110.2 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.49 95.02 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.991 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 71.9 ttt180 -64.19 -53.29 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 84.1 mt -61.24 -25.9 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.388 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -67.61 -47.79 68.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.03 -32.46 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 74.6 mt -74.02 -46.14 45.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.736 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 27' ' ' LEU . 45.9 t -65.7 -30.16 49.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.908 174.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.25 -78.02 0.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.986 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.408 -179.206 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -73.73 156.72 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.602 0.201 . . . . 0.0 110.542 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.86 -59.46 5.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -173.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -24.53 67.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.48 -49.76 57.42 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.294 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.563 ' O ' HG23 ' B' ' 10' ' ' VAL . 94.1 mt -69.91 -35.85 74.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.868 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.49 -44.05 84.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.846 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 3.8 m-20 -59.6 -42.15 91.92 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.889 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.408 ' HB2' HG22 ' A' ' 10' ' ' VAL . 20.0 mmmt -61.27 -43.73 98.4 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 6' ' ' LEU . 81.6 t -55.97 -35.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -74.14 -52.17 13.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.487 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 42.9 mt-10 -55.03 -61.58 2.22 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.097 0.475 . . . . 0.0 111.532 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.09 -38.56 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.322 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.74 -41.46 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 26.0 t -60.56 -43.06 97.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 110.06 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.508 ' HE3' HD22 ' A' ' 17' ' ' ASN . 63.7 tttp -67.09 -43.07 83.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.326 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.41 HD22 ' HE3' ' A' ' 16' ' ' LYS . 4.8 t30 -54.64 -42.08 70.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.97 -38.57 86.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' B' ' 16' ' ' LYS . 54.7 t60 -54.68 -52.17 63.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.573 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.64 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -67.92 -40.56 83.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.739 -175.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.76 -42.86 76.07 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.805 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -63.83 -44.83 92.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.014 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.35 -40.67 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.988 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 20' ' ' LEU . 54.5 t -54.27 -51.56 46.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.071 0.462 . . . . 0.0 110.192 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.58 94.95 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.136 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.468 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 72.2 ttt180 -64.29 -53.28 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.7 mt -61.13 -25.78 67.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.433 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -67.75 -47.86 68.03 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -60.97 -32.81 72.35 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 74.6 mt -73.42 -46.34 49.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.755 -176.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 27' ' ' LEU . 46.1 t -65.68 -30.26 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.777 0.323 . . . . 0.0 110.834 174.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.17 -77.94 0.48 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.539 -179.388 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -82.88 171.1 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.703 0.252 . . . . 0.0 110.689 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.0 -49.29 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.646 0.26 . . . . 0.0 110.333 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -61.7 -46.21 90.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.58 -43.78 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.8 mt -74.18 -31.88 62.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 6.8 tp10 -57.88 -46.19 85.24 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.511 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -57.15 -46.86 82.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.854 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -54.38 -54.59 38.56 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.333 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 6' ' ' LEU . 95.0 t -53.08 -45.68 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.712 -175.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 11.4 pt-20 -75.25 -42.24 55.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.383 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.32 -52.31 65.8 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.25 -45.5 94.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.246 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -44.14 96.84 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.0 p -62.75 -35.46 79.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.427 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HE3' HD21 ' A' ' 20' ' ' LEU . 54.2 tptt -71.41 -40.75 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.2 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -51.67 -44.54 63.11 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.878 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -62.13 -47.88 82.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.297 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -62.55 -50.07 72.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.34 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 24' ' ' VAL . 94.7 mt -59.66 -44.5 93.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.021 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.65 79.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.62 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 93.6 m-20 -72.23 -42.41 65.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.63 71.13 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.325 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 20' ' ' LEU . 90.1 t -54.07 -49.95 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.14 81.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.111 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 45.7 mtt85 -66.13 -45.09 82.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.972 0.415 . . . . 0.0 110.435 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 90.2 mt -61.9 -29.73 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.124 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.41 -42.77 87.33 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 110.58 -0.156 . . . . 0.0 110.58 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.26 -36.54 66.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.744 0.306 . . . . 0.0 111.131 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.43 -50.2 13.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.4 t -64.92 -30.48 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.553 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.76 74.84 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.066 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.865 -0.588 . . . . 0.0 110.536 -178.847 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -82.87 170.85 14.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.757 0.279 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -55.77 -49.14 73.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.48 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.02 -46.12 90.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.081 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.61 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 10' ' ' VAL . 97.4 mt -74.37 -31.84 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.253 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 6.6 tp10 -57.81 -46.51 84.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.433 177.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -57.07 -46.41 82.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.911 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.78 -54.4 42.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.348 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 6' ' ' LEU . 95.3 t -53.15 -45.68 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.672 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 11.4 pt-20 -75.44 -42.15 54.04 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.317 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -60.33 -52.16 66.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.421 0.629 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.38 -45.65 93.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.204 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 tp -63.14 -43.86 97.17 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 p -62.66 -35.45 79.68 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.506 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.439 ' HE3' HD21 ' B' ' 20' ' ' LEU . 54.0 tptt -71.56 -40.98 69.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.193 176.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.7 -44.34 63.12 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -62.17 -47.8 82.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.26 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -62.49 -50.37 71.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.319 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.562 ' O ' HG23 ' B' ' 24' ' ' VAL . 95.4 mt -59.58 -44.7 93.26 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.197 0.31 . . . . 0.0 110.928 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -36.47 78.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.082 0.467 . . . . 0.0 110.666 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 93.3 m-20 -72.3 -42.02 65.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 -50.43 72.52 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 20' ' ' LEU . 90.4 t -53.97 -50.45 53.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.818 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.69 81.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.363 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 45.7 mtt85 -66.38 -45.08 81.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.95 0.405 . . . . 0.0 110.425 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.4 mt -61.98 -29.75 70.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.094 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.27 -42.77 87.97 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.494 0.188 . . . . 0.0 110.663 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -55.66 -36.0 66.61 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.196 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.86 -50.39 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.592 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 27' ' ' LEU . 46.4 t -64.75 -30.88 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.518 0.199 . . . . 0.0 111.47 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.93 -26.2 74.4 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.94 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.142 -178.903 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 p 46.78 29.36 0.97 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.222 1.009 . . . . 0.0 113.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.417 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 58.9 mtt -72.12 -45.1 61.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' A' ' 7' ' ' GLU . 9.5 mtmp? -61.38 -37.4 83.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.684 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 44.5 mt-30 -64.28 -41.25 96.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.059 177.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.8 mt -73.17 -43.91 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.468 -177.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 3' ' ' MET . 13.3 pt-20 -72.1 -22.84 61.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.275 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -45.63 83.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 173.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 42.2 mttm -56.11 -50.09 72.05 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 174.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' LEU . 86.2 t -53.59 -41.24 45.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.067 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.78 -52.44 25.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.25 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.73 -57.44 12.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.143 0.497 . . . . 0.0 110.976 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.2 -44.14 64.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.228 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.25 -42.5 88.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.287 0.089 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -58.86 -44.98 91.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.942 0.401 . . . . 0.0 110.316 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -69.41 -41.68 76.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.376 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.59 -49.78 69.6 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.502 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.2 -46.95 72.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.071 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -63.53 -43.78 96.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.867 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 24' ' ' VAL . 93.9 mt -64.26 -44.65 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.58 -36.95 82.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.851 0.358 . . . . 0.0 110.353 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.01 -46.31 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -67.19 -40.37 86.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 20' ' ' LEU . 94.1 t -53.81 -54.15 21.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 121.04 0.448 . . . . 0.0 110.206 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.06 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.906 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' O ' HD23 ' A' ' 30' ' ' LEU . 79.8 ttt180 -58.47 -56.13 26.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.91 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 94.9 mt -59.46 -28.94 67.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.659 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -73.54 -49.81 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.629 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.01 -31.35 72.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.668 0.27 . . . . 0.0 110.573 175.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 26' ' ' ARG . 3.7 mm? -71.31 -56.97 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.639 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.77 -30.73 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.66 137.93 5.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.9 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.649 -179.767 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p 46.41 29.44 0.88 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.42 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 58.8 mtt -71.95 -44.91 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.415 ' HA ' ' HG2' ' B' ' 7' ' ' GLU . 9.6 mtmp? -61.69 -37.55 84.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.538 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 44.8 mt-30 -64.05 -41.28 97.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.999 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.47 ' O ' HG23 ' B' ' 10' ' ' VAL . 95.8 mt -73.13 -43.96 60.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.565 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 3' ' ' MET . 13.5 pt-20 -72.48 -22.35 61.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.265 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -45.63 82.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 110.328 173.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 42.2 mttm -56.25 -50.05 72.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 6' ' ' LEU . 86.1 t -53.69 -41.16 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 115.054 -0.976 . . . . 0.0 108.943 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.78 -52.24 26.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.156 -1.383 . . . . 0.0 111.351 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.79 -57.66 11.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.071 0.462 . . . . 0.0 110.971 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.0 -44.24 64.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.207 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.16 -42.34 89.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.355 0.071 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -59.04 -44.9 91.84 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 110.197 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -69.53 -41.87 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.383 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -54.29 -49.79 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.551 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.19 -47.12 72.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.09 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -63.38 -43.93 96.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 24' ' ' VAL . 93.8 mt -64.11 -44.65 91.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.679 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.43 -37.28 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.404 . . . . 0.0 110.416 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.95 -46.12 92.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.639 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.07 -40.41 87.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 20' ' ' LEU . 94.4 t -53.77 -54.31 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 121.259 0.552 . . . . 0.0 110.202 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.83 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.873 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.45 ' O ' HD23 ' B' ' 30' ' ' LEU . 79.8 ttt180 -58.68 -56.15 25.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.888 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 94.9 mt -59.51 -28.8 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.616 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -73.64 -49.6 25.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.711 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -31.11 72.18 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.608 175.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 26' ' ' ARG . 3.7 mm? -71.83 -56.4 5.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.725 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.17 -30.4 47.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.31 138.5 5.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.921 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -80.72 172.59 13.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.673 0.273 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.16 -35.87 81.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.836 0.351 . . . . 0.0 110.397 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 64.6 mmtt -64.56 -34.45 78.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.645 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -62.68 -38.54 90.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.382 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 10' ' ' VAL . 90.8 mt -72.8 -36.27 67.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.978 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -60.71 -37.9 83.26 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.282 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.99 -42.45 99.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.52 -49.34 78.15 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 6' ' ' LEU . 75.7 t -54.97 -38.31 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-O 122.026 0.917 . . . . 0.0 108.624 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.91 -52.06 22.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.595 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.37 -54.36 47.92 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.21 -39.6 75.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.396 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.27 -41.06 97.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.614 0.245 . . . . 0.0 110.663 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -69.02 -34.07 74.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.54 -50.66 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.819 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -55.3 -45.23 76.25 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.85 -40.08 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.248 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -63.65 -55.2 25.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.62 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.0 mm? -69.03 -37.19 78.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -63.68 -30.45 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.872 0.367 . . . . 0.0 110.48 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.39 -47.64 19.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.51 -42.97 88.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.084 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG23 HG23 ' B' ' 24' ' ' VAL . 55.5 t -55.24 -52.65 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-O 120.939 0.399 . . . . 0.0 110.474 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.11 79.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.608 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' O ' HD13 ' A' ' 30' ' ' LEU . 43.1 mtm105 -70.59 -53.43 15.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 110.204 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.9 mt -61.12 -24.12 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.544 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -75.25 -48.38 23.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.701 -174.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -70.6 -15.61 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.524 -0.471 . . . . 0.0 111.148 174.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 26' ' ' ARG . 2.7 mp -76.86 -52.48 9.41 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 175.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.7 -31.06 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.975 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.28 56.01 0.68 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.736 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.087 175.472 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 68.4 p -80.72 172.6 13.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.683 0.277 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 68.1 mtt -65.95 -35.91 81.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.787 0.327 . . . . 0.0 110.425 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -64.67 -34.08 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.693 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.109 0.48 . . . . 0.0 110.397 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.505 ' O ' HG23 ' B' ' 10' ' ' VAL . 90.0 mt -72.62 -35.97 67.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.15 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.03 -37.17 81.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.314 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -62.45 -42.7 99.66 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -59.38 -49.21 78.69 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 6' ' ' LEU . 73.4 t -55.18 -38.22 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 122.057 0.932 . . . . 0.0 108.66 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.83 -52.1 22.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.652 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.4 -54.11 50.69 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.963 0.411 . . . . 0.0 111.126 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.27 -39.56 75.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.377 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -64.36 -41.21 96.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.709 0.29 . . . . 0.0 110.562 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -68.75 -34.19 75.18 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.272 0.558 . . . . 0.0 109.552 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.59 -50.63 66.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.72 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -55.36 -45.27 76.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.566 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.74 -39.95 53.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -64.15 -54.95 25.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.578 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.45 HD12 HG21 ' A' ' 24' ' ' VAL . 3.0 mm? -69.19 -36.89 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.916 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -63.9 -30.3 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.317 . . . . 0.0 110.565 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -77.51 -47.63 19.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.672 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -43.02 89.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.457 HG23 HG23 ' A' ' 24' ' ' VAL . 55.7 t -55.26 -52.5 44.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.99 0.424 . . . . 0.0 110.524 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.26 79.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.46 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.493 ' O ' HD13 ' B' ' 30' ' ' LEU . 43.0 mtm105 -70.67 -53.55 15.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.0 mt -60.83 -24.03 65.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.628 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -75.31 -48.45 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.746 -174.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -70.55 -15.81 62.81 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.217 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.493 HD13 ' O ' ' B' ' 26' ' ' ARG . 2.7 mp -76.48 -52.95 8.82 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.47 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.39 -31.07 52.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.25 55.58 0.7 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.071 175.645 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.02 -0.432 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -73.35 162.15 29.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.3 ttm -58.81 -56.87 16.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.409 0.147 . . . . 0.0 111.059 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.48 -30.41 71.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.649 0.261 . . . . 0.0 111.304 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 58.3 tt0 -66.88 -49.41 65.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.8 mt -63.7 -34.65 78.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.13 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.08 -48.66 75.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.655 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -62.23 -44.16 97.2 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.351 178.577 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 11.7 mmmm -53.18 -47.58 68.73 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.371 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 6' ' ' LEU . 58.3 t -55.39 -39.09 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.921 0.867 . . . . 0.0 108.73 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -72.24 -47.47 50.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.993 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 45.7 mt-10 -55.1 -58.5 7.42 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.142 0.496 . . . . 0.0 111.295 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.25 -37.53 72.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.311 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.66 -41.18 98.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.508 0.194 . . . . 0.0 110.658 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -60.21 -43.9 95.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.118 0.485 . . . . 0.0 109.979 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -68.28 -42.88 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.495 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 19.9 t-20 -54.98 -43.37 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -60.25 -38.6 83.96 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 12.2 t-80 -58.0 -51.94 67.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.664 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.6 mm? -66.13 -38.43 88.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 49.9 mt-10 -56.55 -43.35 79.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.943 0.401 . . . . 0.0 110.471 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.542 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 5.3 m-20 -68.08 -42.61 80.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.953 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 28.3 mm-40 -58.58 -46.22 87.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.4 t -53.92 -51.99 40.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.004 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.96 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.28 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 34.3 mmt180 -63.97 -43.07 96.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.701 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.8 mt -64.61 -33.79 76.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.415 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.37 -40.59 81.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.369 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -57.09 -34.5 68.37 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.834 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.58 -54.58 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.277 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.98 -33.03 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 111.416 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.89 -79.21 0.35 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.249 1.074 0 O-C-N 124.152 0.56 . . . . 0.0 111.848 173.43 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -73.47 162.12 29.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.7 ttm -58.96 -56.46 21.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.438 0.161 . . . . 0.0 111.023 -175.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -63.02 -30.21 71.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 58.8 tt0 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.359 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.619 ' O ' HG23 ' B' ' 10' ' ' VAL . 97.7 mt -63.96 -34.74 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.148 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.26 -48.31 76.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.769 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -62.5 -43.69 98.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 178.303 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 11.7 mmmm -53.55 -47.47 70.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.351 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 6' ' ' LEU . 57.6 t -55.32 -39.26 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.079 0.943 . . . . 0.0 108.738 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -72.17 -47.66 49.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.964 -1.471 . . . . 0.0 111.903 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.8 mt-10 -55.17 -57.78 10.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.09 0.471 . . . . 0.0 111.393 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.81 -37.8 74.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.336 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.96 -42.06 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.542 -0.169 . . . . 0.0 110.542 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.04 -42.91 95.44 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.118 0.485 . . . . 0.0 110.178 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -68.85 -42.96 76.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 20.0 t-20 -55.08 -42.95 73.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -60.34 -38.95 85.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.605 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 12.0 t-80 -57.82 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.664 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.7 mm? -66.12 -38.22 87.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.334 -175.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 50.7 mt-10 -56.95 -42.78 80.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.646 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.541 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.2 m-20 -68.35 -42.75 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.844 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 27.1 mm-40 -58.61 -46.33 87.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.502 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 20' ' ' LEU . 56.4 t -53.98 -51.93 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.993 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.87 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.361 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 34.2 mmt180 -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.038 0.447 . . . . 0.0 110.757 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.5 mt -64.75 -33.88 77.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.428 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -40.89 81.24 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.398 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -56.7 -34.54 67.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.57 -54.7 14.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.204 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.86 -33.09 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.352 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.96 -79.31 0.35 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.25 1.096 0 O-C-N 124.177 0.575 . . . . 0.0 111.927 172.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -133.48 32.55 3.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.367 0.603 . . . . 0.0 109.41 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.451 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -67.48 -41.64 84.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.441 -173.053 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -62.34 -34.17 76.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.6 mm100 -71.57 -53.86 12.36 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.603 ' HG ' ' HG ' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -71.1 -27.26 63.48 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.719 -174.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.0 -38.32 82.27 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.708 0.29 . . . . 0.0 110.526 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.23 -50.18 42.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.893 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 33.4 mtmt -58.75 -51.11 71.35 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.59 -30.94 50.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.801 0.81 . . . . 0.0 108.961 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.56 -50.55 13.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.606 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.37 -56.56 19.55 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.574 0.349 . . . . 0.0 111.338 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -49.27 -51.67 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.48 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.48 -37.75 79.06 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.361 0.413 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 t -61.66 -38.58 88.25 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 109.794 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.11 -38.16 72.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.248 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 19.9 m120 -54.18 -51.47 64.27 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -50.73 -51.72 47.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.789 0.681 . . . . 0.0 111.16 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -60.5 -50.9 71.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.535 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 24' ' ' VAL . 86.4 mt -62.73 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 1.9 tm-20 -61.21 -39.97 92.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -67.29 -41.81 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.09 -36.73 82.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.972 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 20' ' ' LEU . 80.7 t -58.25 -58.53 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.021 0.438 . . . . 0.0 110.1 177.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.61 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.601 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -52.77 -54.41 34.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.281 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 73.5 mt -65.68 -31.79 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.025 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.56 -43.48 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.687 0.28 . . . . 0.0 110.634 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -56.27 -34.25 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.892 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.0 mt -79.48 -58.0 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.274 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' B' ' 31' ' ' VAL . 13.2 p -66.95 -30.95 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.76 47.72 4.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.91 -178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.001 -177.88 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -133.1 32.52 3.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 0.6 OUTLIER -67.22 -41.9 84.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.403 -173.305 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.3 -33.89 75.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 110.581 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 13.4 mm100 -71.82 -53.74 12.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.801 -173.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.603 ' HG ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.23 -27.13 63.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.661 -174.578 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.04 -38.56 83.1 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.067 0.229 . . . . 0.0 110.63 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -69.79 -50.71 40.46 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.86 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 33.1 mtmt -58.57 -51.01 71.72 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.153 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.79 -30.67 49.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.947 0.88 . . . . 0.0 109.019 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -76.69 -50.43 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.627 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.36 -56.76 17.09 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.606 0.363 . . . . 0.0 111.305 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.16 -51.71 30.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.367 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.3 -37.56 78.03 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.311 0.382 . . . . 0.0 111.149 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.4 t -61.86 -38.95 90.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.191 0.52 . . . . 0.0 109.672 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.7 -38.3 73.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.254 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 20.2 m120 -54.27 -51.53 64.27 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.61 -51.71 46.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.687 0.617 . . . . 0.0 111.114 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -60.47 -50.87 71.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.619 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.59 ' O ' HG23 ' B' ' 24' ' ' VAL . 86.9 mt -62.8 -43.54 98.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.823 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 1.7 tm-20 -61.04 -40.07 92.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -67.26 -41.82 84.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.16 -36.54 82.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.041 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 20' ' ' LEU . 80.6 t -58.43 -58.41 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 177.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.68 82.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.557 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -52.57 -54.4 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.282 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -65.75 -31.76 72.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.066 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.54 -43.4 94.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.571 0.224 . . . . 0.0 110.628 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -56.77 -33.68 66.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.981 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.62 -58.06 3.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' A' ' 31' ' ' VAL . 13.3 p -67.15 -30.89 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.81 47.71 4.7 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.848 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.122 -177.7 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -91.83 176.92 6.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.665 0.233 . . . . 0.0 110.577 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.6 ttm -65.81 -48.65 71.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.913 0.387 . . . . 0.0 110.142 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.47 -28.92 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' NE2' ' HD3' ' A' ' 9' ' ' LYS . 24.3 tm0? -60.39 -44.02 96.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.911 0.386 . . . . 0.0 109.997 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.6 mt -68.14 -35.85 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.1 -38.42 82.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.859 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -62.33 -44.59 96.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HD3' ' NE2' ' A' ' 5' ' ' GLN . 10.4 mmmm -56.59 -49.54 74.6 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.335 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' LEU . 59.5 t -57.36 -37.73 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 122.106 0.955 . . . . 0.0 108.86 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -53.7 17.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.981 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.03 -51.58 68.59 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 111.827 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -52.7 -34.99 54.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.712 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.8 mm? -60.38 -45.68 92.66 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.822 0.344 . . . . 0.0 110.739 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -61.84 -38.82 89.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.849 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.616 ' HE2' HD21 ' A' ' 20' ' ' LEU . 22.6 tptm -66.55 -47.54 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.017 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 39.0 t30 -50.87 -54.64 22.2 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.96 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.85 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.993 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.83 -48.89 79.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.7 mm? -75.23 -35.95 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -176.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 48.6 mt-10 -57.64 -44.68 85.79 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.352 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.567 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 32.1 m-80 -62.46 -46.72 87.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.985 177.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.76 -47.53 79.89 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.286 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 61.8 t -55.13 -53.27 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.554 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.91 72.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.324 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.5 mtt180 -64.17 -51.52 63.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.319 0.58 . . . . 0.0 110.058 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.544 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 57.6 mt -65.88 -24.73 66.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.801 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 71.4 mmtt -67.24 -52.73 37.36 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -64.1 -21.4 66.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.217 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 87.7 mt -76.85 -53.7 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.692 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.73 -31.95 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.59 92.2 0.42 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.527 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -91.75 177.34 6.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.692 0.246 . . . . 0.0 110.552 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 54.2 ttm -66.01 -49.0 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.35 -28.94 70.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.32 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.448 ' NE2' ' HD3' ' B' ' 9' ' ' LYS . 24.0 tm0? -60.17 -44.25 95.18 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.563 ' O ' HG23 ' B' ' 10' ' ' VAL . 95.5 mt -68.04 -36.17 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.183 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.74 -38.36 81.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.944 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.48 -44.52 96.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.448 ' HD3' ' NE2' ' B' ' 5' ' ' GLN . 10.4 mmmm -56.59 -49.34 75.19 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.364 176.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 6' ' ' LEU . 59.1 t -57.69 -37.33 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 122.146 0.974 . . . . 0.0 108.869 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -53.51 16.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.933 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.85 -51.9 67.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -52.48 -34.64 50.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.775 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 10' ' ' VAL . 1.9 mm? -60.62 -45.97 92.03 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.671 0.272 . . . . 0.0 110.768 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -61.41 -38.96 88.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.987 0.422 . . . . 0.0 110.015 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.621 ' HE2' HD21 ' B' ' 20' ' ' LEU . 22.6 tptm -66.58 -47.67 72.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 38.6 t30 -50.98 -54.34 25.25 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.891 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -66.87 -33.43 75.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.052 -176.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -60.65 -49.0 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.65 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.8 mm? -74.91 -35.97 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.223 -176.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 47.7 mt-10 -57.93 -44.25 86.79 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.56 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.561 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 31.4 m-80 -62.68 -47.01 85.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.87 177.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.55 -47.59 79.13 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.422 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 63.0 t -55.05 -53.36 34.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.605 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.81 72.12 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.254 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 64.4 mtt180 -64.24 -51.42 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.355 0.597 . . . . 0.0 109.996 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 58.0 mt -65.98 -24.81 66.86 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.725 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 71.4 mmtt -67.15 -52.97 35.02 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.76 -21.69 66.54 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.173 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 88.3 mt -76.92 -53.13 8.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.801 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.97 -32.2 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.66 92.33 0.42 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.21 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -85.1 176.71 8.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptm -68.26 -29.12 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.33 -47.53 81.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.269 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.05 -36.09 76.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.788 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 10' ' ' VAL . 92.6 mt -70.88 -37.73 73.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.094 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.58 -43.64 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.86 -31.59 71.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 67.6 mttm -69.0 -46.6 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.064 175.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 6' ' ' LEU . 84.7 t -56.91 -28.71 29.16 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -78.15 -59.49 2.76 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.469 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 9' ' ' LYS . 10.6 pt-20 -64.6 -44.22 91.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 111.565 -173.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.51 -41.53 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.624 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.95 -40.07 95.6 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.091 0.156 . . . . 0.0 110.851 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -57.31 -48.17 79.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.38 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 64.0 tttp -67.72 -39.28 84.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.537 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.43 -53.92 51.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.971 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.5 -36.64 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -61.17 -51.72 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 24' ' ' VAL . 91.5 mt -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.335 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -65.84 -22.79 66.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.75 0.31 . . . . 0.0 110.396 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 87.7 m-20 -69.4 -52.35 27.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.973 176.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.43 -41.87 86.02 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.723 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 20' ' ' LEU . 85.5 t -53.2 -53.12 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.059 0.457 . . . . 0.0 110.473 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.6 93.65 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.055 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 5.7 mmp_? -60.7 -52.3 65.71 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.972 0.415 . . . . 0.0 110.539 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 92.0 mt -61.53 -27.62 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.59 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -67.2 -50.75 59.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.4 -36.23 77.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.134 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 92.6 mt -68.74 -54.15 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.304 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.61 -17.08 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.79 63.16 3.82 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.41 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.51 178.935 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -85.48 176.67 8.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.1 ptm -68.03 -29.37 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.28 -47.3 82.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.854 0.359 . . . . 0.0 110.256 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.18 -36.15 76.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.733 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.559 ' O ' HG23 ' B' ' 10' ' ' VAL . 93.9 mt -70.72 -37.83 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.049 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.54 -43.55 96.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.79 -31.9 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.449 ' HA ' ' HG2' ' B' ' 12' ' ' GLU . 67.6 mttm -68.9 -46.4 68.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.109 175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 6' ' ' LEU . 87.3 t -57.16 -28.63 30.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -78.32 -59.31 2.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.571 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' B' ' 9' ' ' LYS . 10.5 pt-20 -64.69 -44.38 90.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.459 -173.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.26 -41.61 93.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.655 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 122.202 0.201 . . . . 0.0 110.976 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 43.8 t -57.74 -47.9 81.16 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.319 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.9 tttp -67.67 -39.3 84.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -56.33 -54.24 47.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.929 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.38 -36.5 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.443 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -61.28 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.557 ' O ' HG23 ' B' ' 24' ' ' VAL . 93.0 mt -60.9 -38.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.124 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 20' ' ' LEU . 8.5 tt0 -65.76 -22.83 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.436 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 88.0 m-20 -69.25 -52.25 29.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.048 176.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.74 -41.77 87.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 20' ' ' LEU . 86.4 t -53.14 -53.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-O 121.145 0.497 . . . . 0.0 110.54 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.75 93.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.089 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.536 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 5.7 mmp_? -60.62 -52.55 64.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 110.462 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 91.7 mt -61.22 -27.76 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.58 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -67.18 -50.95 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -60.19 -36.67 78.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.01 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 92.2 mt -68.19 -54.28 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.349 -177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.55 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.63 62.68 3.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.399 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.497 178.611 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -150.92 131.71 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.37 -29.55 69.75 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.73 -50.93 69.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.037 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.641 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.7 tt0 -64.39 -53.13 53.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.043 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.848 HD23 HD23 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -45.39 -51.89 10.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.106 177.154 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' N ' HD13 ' A' ' 6' ' ' LEU . 32.8 tt0 -52.97 -52.17 59.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 111.375 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.8 m-20 -68.73 -49.25 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.906 -176.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 20.8 mmmt -66.04 -44.85 83.44 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 p -60.62 -29.19 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.26 -52.63 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.913 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.5 mt-10 -55.95 -60.24 3.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.146 0.498 . . . . 0.0 111.033 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.5 mt -47.52 -48.08 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.072 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 tp -68.94 -44.12 73.69 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.211 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -58.51 -46.5 86.6 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 88.5 tttt -70.99 -39.17 72.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.396 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -54.82 -50.39 68.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.61 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.92 -45.01 78.84 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.293 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -64.8 -45.15 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 24' ' ' VAL . 92.4 mt -63.55 -46.88 83.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.018 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.3 -43.51 83.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 110.049 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.49 -33.22 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.8 -45.32 68.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.576 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 20' ' ' LEU . 98.9 t -53.29 -56.74 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 123.565 0.541 . . . . 0.0 110.124 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -41.65 79.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.182 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -62.91 -52.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.404 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 73.5 mt -63.78 -25.54 68.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.478 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 72.2 mmtt -62.64 -49.25 75.91 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.69 -30.04 69.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.29 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.9 -47.82 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -65.46 -31.59 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.181 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.57 -145.15 15.88 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.836 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.855 0.462 . . . . 0.0 110.128 -177.705 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -150.84 131.24 13.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.4 mmt -65.79 -29.57 70.08 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.673 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.2 -50.57 69.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.923 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.641 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 53.9 tt0 -64.43 -53.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.001 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.848 HD23 HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -45.3 -51.75 10.6 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.213 177.064 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.497 ' N ' HD13 ' B' ' 6' ' ' LEU . 34.1 tt0 -53.2 -52.06 60.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 0.0 111.317 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 5.7 m-20 -68.92 -49.24 59.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.957 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 20.9 mmmt -65.95 -44.82 83.93 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 p -60.53 -29.22 44.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.33 -52.39 10.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.005 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.6 mt-10 -56.13 -59.98 4.14 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.202 0.525 . . . . 0.0 110.999 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -47.79 -48.19 30.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.946 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 tp -68.89 -44.18 73.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.365 -0.134 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.6 m -58.22 -46.75 85.31 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.4 tttt -71.06 -38.92 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.366 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -55.04 -50.51 68.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.589 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.72 -45.2 77.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.264 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -64.74 -45.39 86.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.551 ' O ' HG23 ' B' ' 24' ' ' VAL . 92.6 mt -63.29 -46.86 84.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.39 -43.56 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 110.041 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.5 -33.18 74.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.137 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.73 -45.14 68.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.609 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 99.6 t -53.47 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.501 0.501 . . . . 0.0 110.138 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.25 -41.6 79.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.303 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -62.81 -52.53 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.6 mt -63.48 -25.67 68.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.505 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 72.2 mmtt -62.55 -49.06 76.77 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -60.81 -30.06 69.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.97 -47.98 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.569 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 27' ' ' LEU . 60.3 t -65.26 -31.74 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 111.132 176.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.9 -144.88 15.86 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.813 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.107 -177.776 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t 64.9 108.21 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.464 0.649 . . . . 0.0 111.865 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.9 mtt -69.24 -24.36 63.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -72.31 -49.46 34.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.59 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 53.4 tp60 -63.36 -44.05 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.479 0.18 . . . . 0.0 110.662 -178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 10' ' ' VAL . 91.9 mt -61.03 -37.03 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.347 . . . . 0.0 110.07 177.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.22 -43.39 98.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.655 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.31 -44.23 88.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.77 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 33.6 mtpt -58.39 -51.22 70.76 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.028 175.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 6' ' ' LEU . 97.4 t -55.23 -41.16 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-O 122.012 0.91 . . . . 0.0 108.916 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.49 -52.01 37.08 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.38 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.04 -57.8 11.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.981 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -50.86 -44.85 59.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.336 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 tp -63.65 -42.54 98.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.539 0.209 . . . . 0.0 110.967 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -60.55 -43.13 97.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.487 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -72.63 -40.83 66.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -52.61 -50.35 63.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.029 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.17 -30.36 71.0 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.438 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -60.92 -51.01 71.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.632 HD12 HG21 ' B' ' 24' ' ' VAL . 3.2 mm? -68.8 -35.34 76.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.616 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -52.65 -44.79 66.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.8 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -67.84 -43.59 79.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -48.66 80.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.625 HG21 HD12 ' B' ' 20' ' ' LEU . 79.3 t -53.13 -50.97 43.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 123.589 0.556 . . . . 0.0 110.544 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.82 95.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.135 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 8.3 ttp180 -64.97 -45.64 84.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.687 0.28 . . . . 0.0 111.185 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 83.4 mt -63.67 -31.77 73.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.2 -45.27 81.36 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.12 -41.87 79.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.973 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 81.8 mt -64.76 -55.81 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.397 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.62 2.9 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.049 0.452 . . . . 0.0 111.664 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.47 49.37 3.18 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.87 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.529 177.034 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t 65.04 108.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.466 0.65 . . . . 0.0 111.906 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -69.04 -24.41 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.053 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -72.22 -49.44 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 51.8 tp60 -63.45 -44.11 95.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.261 -0.175 . . . . 0.0 110.713 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 10' ' ' VAL . 91.2 mt -60.86 -37.07 80.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.1 177.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.17 -43.72 97.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.62 177.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.07 -44.17 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.694 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 33.3 mtpt -58.26 -51.5 69.49 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 6' ' ' LEU . 96.4 t -55.08 -41.32 58.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-O 122.045 0.926 . . . . 0.0 108.996 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.22 -52.02 38.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.862 -1.517 . . . . 0.0 111.435 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.15 -57.85 10.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.965 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -50.84 -44.76 59.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.414 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.576 0.171 . . . . 0.0 110.962 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.6 m -60.44 -43.03 97.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.473 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -72.6 -41.17 65.9 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -52.39 -50.38 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.007 0.432 . . . . 0.0 109.922 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.36 -30.25 71.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.448 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -60.88 -51.17 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.625 HD12 HG21 ' A' ' 24' ' ' VAL . 3.2 mm? -68.72 -35.24 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.86 -44.44 66.82 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.874 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -68.09 -43.33 78.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -48.68 80.7 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.957 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 20' ' ' LEU . 77.6 t -53.06 -51.06 42.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.69 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.09 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 8.4 ttp180 -65.06 -45.59 84.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.625 0.25 . . . . 0.0 111.23 -178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 83.5 mt -63.64 -31.63 72.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.481 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.14 -45.97 79.15 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.8 -41.4 77.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.043 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 82.4 mt -65.46 -55.19 19.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.429 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.96 2.92 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.683 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.28 48.69 3.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.935 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.684 177.328 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -80.91 67.91 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.034 0.445 . . . . 0.0 111.105 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.7 -43.68 62.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 7' ' ' GLU . 8.0 mtpm? -63.85 -28.94 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.09 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -60.21 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.402 . . . . 0.0 110.123 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.7 mt -71.21 -30.23 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.025 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . 34.9 tt0 -59.55 -42.15 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.687 177.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 12.0 m-20 -60.53 -45.79 92.54 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.489 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -53.99 -50.13 67.27 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.195 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 6' ' ' LEU . 64.3 t -58.51 -37.34 63.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 122.048 0.928 . . . . 0.0 108.776 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.52 -52.46 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.412 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 44.0 mt-10 -56.45 -59.84 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.146 0.498 . . . . 0.0 110.797 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.51 -40.2 50.72 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.132 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -52.97 -55.46 23.3 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.815 0.446 . . . . 0.0 110.73 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.4 t -53.81 -47.82 70.47 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.886 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.69 ' HD2' ' ND2' ' B' ' 17' ' ' ASN . 1.2 tmtp? -71.03 -39.85 72.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.133 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.703 ' ND2' ' HD2' ' B' ' 16' ' ' LYS . 21.9 t-20 -52.4 -49.76 63.83 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.707 177.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.54 -35.29 68.01 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.95 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -65.54 -53.15 46.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD23 ' HD3' ' A' ' 16' ' ' LYS . 1.9 mm? -68.25 -28.45 67.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.541 -176.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.82 -38.46 90.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 85.0 m-20 -73.76 -42.47 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.419 178.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.9 -42.89 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.141 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 20' ' ' LEU . 54.3 t -57.27 -50.78 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.421 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.06 76.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.203 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 64.6 mtp180 -64.85 -53.25 49.72 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.104 0.478 . . . . 0.0 110.469 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 82.7 mt -61.76 -25.78 67.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.42 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -68.42 -48.15 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.615 0.245 . . . . 0.0 110.656 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.26 -37.58 86.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.544 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 84.7 mt -65.53 -56.66 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 27' ' ' LEU . 5.7 p -82.76 16.3 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.428 0.632 . . . . 0.0 111.013 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.26 52.49 4.06 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.072 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.153 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -80.55 67.83 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.212 0.529 . . . . 0.0 111.049 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.7 mtp -72.44 -44.12 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' B' ' 7' ' ' GLU . 8.0 mtpm? -63.35 -29.09 70.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.136 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.26 -47.93 83.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.171 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.521 ' O ' HG23 ' B' ' 10' ' ' VAL . 96.4 mt -71.18 -30.19 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.045 178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.486 ' HB3' ' HA ' ' B' ' 4' ' ' LYS . 34.6 tt0 -59.58 -42.07 91.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.701 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 11.1 m-20 -60.73 -45.89 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.321 176.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -54.01 -49.93 67.75 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.259 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 6' ' ' LEU . 66.2 t -58.91 -37.0 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 122.003 0.906 . . . . 0.0 108.707 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -71.57 -52.54 17.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.422 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.9 mt-10 -56.39 -59.63 4.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.206 0.527 . . . . 0.0 111.019 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -50.62 -40.37 52.79 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.083 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' B' ' 10' ' ' VAL . 0.1 OUTLIER -52.77 -55.3 23.86 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.426 0.454 . . . . 0.0 110.733 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.6 t -54.32 -47.28 72.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.703 ' HD2' ' ND2' ' A' ' 17' ' ' ASN . 1.2 tmtp? -71.32 -39.84 71.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.976 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.69 ' ND2' ' HD2' ' A' ' 16' ' ' LYS . 21.4 t-20 -52.26 -50.17 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.62 0.768 . . . . 0.0 110.744 177.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.1 -35.53 69.21 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.016 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -65.22 -53.15 48.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.527 HD23 ' HD3' ' B' ' 16' ' ' LYS . 1.9 mm? -68.26 -28.79 67.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.628 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.7 -37.99 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 110.464 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 85.1 m-20 -74.2 -42.67 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.81 -42.66 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 20' ' ' LEU . 54.0 t -57.25 -51.07 74.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.924 0.392 . . . . 0.0 110.445 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.18 75.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.145 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 64.7 mtp180 -64.87 -53.24 49.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.06 0.457 . . . . 0.0 110.39 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 83.3 mt -61.9 -25.62 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.417 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.58 -48.12 65.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.665 0.269 . . . . 0.0 110.627 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -62.37 -37.18 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 85.4 mt -65.9 -56.53 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.142 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.47 HG12 ' O ' ' B' ' 27' ' ' LEU . 5.6 p -82.9 16.45 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.318 0.58 . . . . 0.0 111.087 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 52.4 4.09 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.031 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.247 0.974 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.858 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m -69.53 162.06 28.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.55 0.175 . . . . 0.0 111.263 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -56.62 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -61.73 -40.3 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.001 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -57.63 -46.01 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.88 -30.82 67.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' HA ' HG12 ' A' ' 10' ' ' VAL . 30.9 tt0 -66.29 -32.14 73.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.962 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.28 -49.74 63.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -65.65 -46.38 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.725 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 7' ' ' GLU . 11.1 p -58.07 -31.51 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.908 0.861 . . . . 0.0 108.693 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -79.36 -52.01 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.551 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.42 -52.62 64.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 111.257 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD13 ' HB2' ' B' ' 14' ' ' LEU . 88.0 mt -53.04 -46.14 68.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.559 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HB2' HD13 ' B' ' 13' ' ' LEU . 67.1 tp -64.26 -40.82 96.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.447 0.165 . . . . 0.0 110.838 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -57.92 -46.03 85.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.4 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HE2' HD21 ' B' ' 17' ' ' ASN . 25.6 ttpt -72.58 -40.57 66.5 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.114 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD21 ' HE2' ' B' ' 16' ' ' LYS . 52.5 t-20 -52.54 -45.99 66.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.075 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.85 -38.18 67.13 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.254 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -63.33 -58.71 6.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.1 mm? -62.01 -38.71 89.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.805 -174.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.29 -43.63 83.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -79.1 -29.28 43.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.462 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.78 -35.11 69.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.866 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.4 t -57.18 -51.38 69.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -54.86 -43.32 72.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.869 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' HD13 ' A' ' 30' ' ' LEU . 79.8 ttt180 -60.29 -52.57 64.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.92 0.391 . . . . 0.0 110.507 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.4 mt -64.54 -23.15 67.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.678 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 70.7 mmtt -65.15 -51.36 61.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ALA . 3.8 mptp? -63.89 -26.12 68.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 26' ' ' ARG . 2.0 mp -73.89 -52.37 13.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.872 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' LEU . 47.8 t -65.38 -30.63 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 111.602 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.46 6.6 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.14 -175.439 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -69.28 162.08 27.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.498 0.149 . . . . 0.0 111.307 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 67.7 mtt -56.49 -57.55 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -61.26 -40.02 92.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.13 -45.83 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.721 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.91 -30.92 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.493 ' HA ' HG12 ' B' ' 10' ' ' VAL . 31.5 tt0 -66.27 -32.13 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.922 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.32 -49.67 63.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.043 0.449 . . . . 0.0 110.321 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.6 -46.44 79.33 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.844 -177.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' B' ' 7' ' ' GLU . 11.2 p -58.0 -31.68 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 122.053 0.93 . . . . 0.0 108.73 -177.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -79.12 -52.02 8.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.73 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.19 -53.09 62.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.193 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 14' ' ' LEU . 87.7 mt -52.5 -46.39 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.619 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.418 ' HB2' HD13 ' A' ' 13' ' ' LEU . 67.4 tp -64.33 -40.56 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.85 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -58.11 -46.15 86.06 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.816 0.341 . . . . 0.0 110.407 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.438 ' HE2' HD21 ' A' ' 17' ' ' ASN . 25.5 ttpt -72.34 -40.49 67.35 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.461 HD21 ' HE2' ' A' ' 16' ' ' LYS . 52.3 t-20 -52.62 -46.19 66.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.052 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.6 -38.09 66.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.309 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.54 -58.49 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.986 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 24' ' ' VAL . 3.1 mm? -62.32 -38.48 89.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -174.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.62 -43.42 84.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.418 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -79.32 -28.88 42.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.4 -34.51 67.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.759 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 20' ' ' LEU . 62.2 t -57.54 -51.52 68.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -54.61 -43.22 72.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.838 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.435 ' O ' HD13 ' B' ' 30' ' ' LEU . 79.9 ttt180 -60.52 -52.45 65.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.916 0.389 . . . . 0.0 110.497 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 78.6 mt -64.47 -23.46 67.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.593 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 70.7 mmtt -64.91 -51.61 60.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' B' ' 25' ' ' ALA . 3.8 mptp? -63.56 -26.43 68.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 26' ' ' ARG . 2.1 mp -73.78 -52.15 14.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.821 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 27' ' ' LEU . 47.5 t -65.4 -30.84 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.716 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.68 35.85 6.7 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.101 -175.125 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.959 -0.457 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -86.71 3.03 46.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.636 0.255 . . . . 0.0 110.838 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.0 -34.95 74.02 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.14 -34.39 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.044 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 76.5 mm-40 -68.53 -43.51 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 109.801 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.17 -33.61 65.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.315 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.591 ' O ' HG12 ' A' ' 10' ' ' VAL . 27.4 tt0 -69.66 -38.32 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.876 -178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -45.17 87.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.097 0.475 . . . . 0.0 110.323 175.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 23.4 mtmt -69.13 -43.91 73.42 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 7' ' ' GLU . 4.3 p -60.48 -29.45 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 41.1 mt-10 -78.43 -52.2 8.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.734 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.54 -59.86 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.25 -44.32 71.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.5 -41.68 98.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.431 0.158 . . . . 0.0 111.297 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -59.89 -44.9 93.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 85.7 tttt -66.86 -41.27 87.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.211 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -53.91 -51.38 63.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.699 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.74 -45.18 86.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.017 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -62.04 -44.66 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.9 mt -62.17 -44.15 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.811 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.8 -38.87 86.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 110.333 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.04 -36.66 80.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.975 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -72.16 -35.31 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.814 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 20' ' ' LEU . 92.6 t -56.55 -56.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 109.891 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.73 82.71 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.495 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 75.6 ttt180 -53.91 -56.26 19.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.049 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.3 mt -65.33 -28.35 69.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.066 -177.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.6 -49.68 61.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.635 0.255 . . . . 0.0 110.625 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -72.96 -1.04 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.015 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 84.2 mt -95.18 -57.17 2.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.645 0.26 . . . . 0.0 110.749 171.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' B' ' 31' ' ' VAL . 9.5 p -69.21 -30.94 47.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.41 19.62 42.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.925 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.983 -178.899 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -86.64 2.31 48.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.47 -35.05 73.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -33.96 72.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.184 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 76.8 mm-40 -68.7 -43.69 75.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 109.795 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.13 -33.72 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.266 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.599 ' O ' HG12 ' B' ' 10' ' ' VAL . 28.0 tt0 -69.41 -38.39 77.9 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.944 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -45.1 88.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 175.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 23.3 mtmt -69.18 -43.68 73.71 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.736 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.599 HG12 ' O ' ' B' ' 7' ' ' GLU . 4.3 p -60.71 -29.3 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -176.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 7' ' ' GLU . 41.5 mt-10 -78.43 -52.46 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.733 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -53.44 -59.92 3.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.28 0.562 . . . . 0.0 111.142 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -54.31 -44.06 71.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.161 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.55 -42.23 98.38 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 121.904 0.081 . . . . 0.0 110.994 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.9 t -59.29 -45.17 91.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.7 tttt -66.76 -41.16 88.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.97 -51.33 64.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.675 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -45.42 85.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.988 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -62.03 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 24' ' ' VAL . 95.9 mt -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.752 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.54 -39.31 87.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.64 -36.85 81.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -71.92 -35.39 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.802 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 20' ' ' LEU . 92.8 t -56.63 -55.91 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 109.892 175.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.77 82.92 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.461 177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 75.9 ttt180 -53.8 -56.47 17.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.246 0.546 . . . . 0.0 110.977 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 76.8 mt -65.07 -28.34 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.087 -177.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -67.69 -49.65 61.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.72 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -72.84 -1.08 15.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.171 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 83.8 mt -95.2 -57.23 2.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.755 171.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 31' ' ' VAL . 9.7 p -69.08 -30.7 47.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.26 18.89 44.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.797 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.216 -178.562 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t 62.09 97.65 0.03 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.408 0.623 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtt -63.11 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -67.7 -49.3 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.563 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.73 -44.75 86.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.7 mt -70.71 -30.82 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -178.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.5 -48.26 73.18 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.979 0.419 . . . . 0.0 110.103 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.72 -32.91 74.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.422 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -60.42 -54.4 46.03 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.976 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 6' ' ' LEU . 72.4 t -57.48 -37.7 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.742 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.4 -51.14 68.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.025 -1.443 . . . . 0.0 111.294 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.12 -66.92 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.025 0.441 . . . . 0.0 111.135 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -49.15 -38.3 24.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.23 -43.39 95.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.4 -0.188 . . . . 0.0 111.248 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.2 p -66.78 -31.97 72.95 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.767 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -65.73 -49.82 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.084 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.542 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -54.59 -45.16 73.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.225 179.182 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.25 -48.88 76.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.45 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 67.4 m170 -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.995 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 24' ' ' VAL . 70.0 mt -60.58 -39.65 88.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.196 -176.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.0 mm-40 -59.34 -41.53 89.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -73.75 -33.15 64.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.605 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 17.1 mm-40 -61.93 -47.56 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.318 176.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 20' ' ' LEU . 87.5 t -57.36 -52.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.102 177.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.97 83.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.008 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.69 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.7 mt -64.5 -26.15 68.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.889 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -62.81 -46.7 86.74 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.39 -41.57 85.14 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.529 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.9 -50.46 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.701 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 27' ' ' LEU . 39.8 t -64.32 -25.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.26 -10.7 85.38 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.622 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.888 178.262 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t 62.3 97.54 0.03 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.303 0.573 . . . . 0.0 111.238 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -67.66 -49.17 64.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.017 0.437 . . . . 0.0 110.615 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 10' ' ' VAL . 96.8 mt -70.84 -30.69 67.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.841 -178.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.37 -48.39 73.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.166 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.81 -32.68 74.49 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -60.57 -54.48 44.86 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.935 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 6' ' ' LEU . 72.6 t -57.35 -37.59 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-O 121.881 0.848 . . . . 0.0 108.77 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.68 -51.23 68.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.226 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -59.84 -66.83 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.276 -177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -49.34 -38.02 26.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.47 -43.5 94.02 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.399 -0.188 . . . . 0.0 111.261 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -66.67 -31.79 72.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.828 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -65.83 -49.74 67.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.036 174.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.545 ' C ' HD22 ' B' ' 17' ' ' ASN . 0.1 OUTLIER -54.59 -45.09 73.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.362 179.212 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -63.43 -49.04 75.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.869 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.453 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 67.4 m170 -63.02 -51.29 67.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.006 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 24' ' ' VAL . 70.2 mt -60.89 -39.43 89.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.317 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 1.9 mm-40 -59.28 -42.0 90.2 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.663 0.268 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -73.63 -32.64 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.664 0.269 . . . . 0.0 110.799 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 17.1 mm-40 -61.96 -47.85 83.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.405 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.4 t -57.36 -52.64 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.091 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.17 82.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.67 -53.13 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 89.5 mt -64.73 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.803 -177.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -63.2 -46.51 86.71 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.33 -41.82 85.44 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.588 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.72 -50.53 72.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.701 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 27' ' ' LEU . 39.7 t -64.31 -25.39 37.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.985 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.4 -10.62 85.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.66 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.042 178.01 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m 60.05 29.93 19.45 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 122.735 0.414 . . . . 0.0 111.34 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mtp -65.57 -42.9 91.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.243 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 3.9 ttmp? -65.45 -35.25 80.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.991 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 52.2 tt0 -64.82 -49.19 71.61 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.118 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.72 -29.62 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.385 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' A' ' 10' ' ' VAL . 44.1 tt0 -64.39 -41.94 96.38 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.872 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.7 -46.36 89.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.223 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 10.5 mmmm -58.78 -54.53 46.1 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.65 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 7' ' ' GLU . 13.0 p -60.55 -33.61 55.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.524 0.678 . . . . 0.0 109.537 -173.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -75.96 -48.95 19.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.121 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -56.77 -60.6 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -53.69 -39.69 65.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.733 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.05 -45.82 83.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.586 0.231 . . . . 0.0 111.007 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 p -72.75 -27.22 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 0.0 110.351 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -69.39 -49.31 56.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.48 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -55.46 -42.3 74.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.303 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -55.28 -37.68 67.61 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.971 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 30.9 t-80 -67.13 -55.76 12.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.561 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mm? -66.45 -40.5 89.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.603 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.59 -41.29 85.45 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.566 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.0 m-20 -71.93 -37.59 69.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 32.0 mm-40 -64.84 -39.59 93.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.786 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 75.5 t -55.87 -50.52 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.064 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' O ' ' HD2' ' A' ' 29' ' ' LYS . . . -55.12 -43.43 74.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.682 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 37.9 mmt180 -61.12 -53.85 51.85 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.162 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 84.8 mt -62.16 -23.23 66.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.482 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 31.1 mmtp -66.04 -55.92 14.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.855 -0.157 . . . . 0.0 111.013 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -76.21 -6.79 52.95 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.111 -176.771 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HG21 ' B' ' 31' ' ' VAL . 3.4 mp -82.78 -56.74 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.008 173.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' B' ' 30' ' ' LEU . 12.4 p -67.43 -31.17 51.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.91 -37.78 3.31 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.176 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.509 ' H ' HG13 ' A' ' 31' ' ' VAL . 38.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 122.928 0.491 . . . . 0.0 110.295 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m 59.76 29.98 19.55 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 122.787 0.435 . . . . 0.0 111.478 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mtp -65.49 -42.63 91.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 3.9 ttmp? -66.11 -34.48 78.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 52.2 tt0 -65.27 -48.94 71.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.874 0.369 . . . . 0.0 110.132 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -29.69 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.475 ' HA ' HG12 ' B' ' 10' ' ' VAL . 44.3 tt0 -64.32 -41.9 96.59 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.889 177.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.99 -45.91 91.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.176 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 10.6 mmmm -58.94 -54.42 47.31 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.738 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' B' ' 7' ' ' GLU . 12.8 p -60.57 -33.74 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 121.55 0.69 . . . . 0.0 109.599 -173.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.81 -49.0 19.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.106 177.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -56.66 -60.65 3.24 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -53.75 -39.47 65.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.851 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp -65.15 -45.89 83.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.462 0.172 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -72.7 -27.4 62.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 110.392 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -69.18 -49.31 57.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.516 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -55.63 -41.95 74.24 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.302 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.69 -37.45 68.37 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.999 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 30.9 t-80 -67.41 -55.28 14.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.504 ' O ' HG23 ' B' ' 24' ' ' VAL . 3.3 mm? -66.82 -40.32 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.588 -173.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.8 -41.31 86.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 0.0 110.793 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.565 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.5 m-20 -71.81 -37.94 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.911 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 33.5 mm-40 -64.35 -39.93 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.905 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 75.2 t -55.74 -50.73 65.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.059 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.421 ' O ' ' HD2' ' B' ' 29' ' ' LYS . . . -54.85 -43.45 73.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.752 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 37.8 mmt180 -60.87 -54.3 46.77 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.094 0.473 . . . . 0.0 110.141 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 83.9 mt -62.04 -23.3 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.456 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 30.9 mmtp -65.97 -55.72 15.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.99 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.57 ' H ' ' HD2' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -76.57 -6.19 50.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.052 -176.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' A' ' 31' ' ' VAL . 3.4 mp -83.19 -56.68 3.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 173.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 30' ' ' LEU . 12.4 p -67.53 -31.14 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -39.17 2.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.089 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.498 ' H ' HG13 ' B' ' 31' ' ' VAL . 38.4 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.893 0.477 . . . . 0.0 110.346 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -84.97 68.28 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.114 0.483 . . . . 0.0 110.516 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.0 ttt -71.95 -35.74 69.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -64.52 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 55.6 tt0 -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 109.775 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 10' ' ' VAL . 81.6 mt -67.35 -30.66 70.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.688 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.3 -47.49 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -74.2 -22.62 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.2 mmmt -69.22 -53.92 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 177.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.468 ' O ' HD23 ' A' ' 14' ' ' LEU . 90.0 t -58.62 -29.37 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -74.35 -53.09 10.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.334 -1.757 . . . . 0.0 110.904 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.74 -55.14 38.01 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.39 0.614 . . . . 0.0 110.568 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.4 mt -49.41 -41.58 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.723 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.3 mm? -57.19 -48.37 78.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.638 0.256 . . . . 0.0 110.933 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 -39.8 87.2 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.026 0.441 . . . . 0.0 110.286 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -68.62 -45.85 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.193 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.0 -50.28 69.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.124 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.44 0.463 . . . . 0.0 110.581 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -59.07 -52.31 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.856 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 24' ' ' VAL . 73.6 mt -65.0 -50.75 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.762 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.44 -39.09 78.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.945 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -69.89 -45.17 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.18 -27.96 63.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.6 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 20' ' ' LEU . 53.1 t -54.88 -54.97 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.158 0.504 . . . . 0.0 109.859 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.1 86.86 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.425 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.611 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 43.1 ttm180 -57.87 -49.57 76.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 86.2 mt -62.87 -33.1 74.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.697 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.58 -43.59 72.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.414 0.149 . . . . 0.0 111.237 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 18.7 pttp -69.8 -17.15 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.804 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 88.1 mt -81.9 -55.84 4.35 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.978 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -65.6 -30.36 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.606 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.21 39.99 2.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.988 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.5 tt0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.064 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -84.68 68.62 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.11 -35.72 69.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.366 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -64.78 -31.61 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 56.0 tt0 -62.13 -41.32 98.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 109.805 174.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 10' ' ' VAL . 81.6 mt -67.42 -30.72 70.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -57.08 -47.78 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.652 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -73.94 -22.76 59.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 31.2 mmmt -69.18 -53.93 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 177.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.462 ' O ' HD23 ' B' ' 14' ' ' LEU . 86.1 t -58.45 -29.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -74.58 -53.17 9.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.443 -1.708 . . . . 0.0 110.952 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.4 -55.25 35.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.419 0.628 . . . . 0.0 110.649 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 89.3 mt -49.37 -41.72 39.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.693 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.462 HD23 ' O ' ' B' ' 10' ' ' VAL . 1.3 mm? -56.96 -48.63 77.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.577 0.227 . . . . 0.0 110.892 176.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 29.8 t -60.13 -39.5 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.093 0.473 . . . . 0.0 110.294 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -68.71 -45.78 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.171 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.94 -50.3 69.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.129 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.5 -48.4 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.417 0.448 . . . . 0.0 110.618 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.88 -52.33 66.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.623 ' O ' HG23 ' B' ' 24' ' ' VAL . 75.2 mt -64.77 -50.86 65.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.6 -39.03 79.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.034 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -69.86 -44.94 68.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.45 -27.79 63.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.569 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.623 HG23 ' O ' ' B' ' 20' ' ' LEU . 52.9 t -55.12 -55.29 17.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.142 0.496 . . . . 0.0 109.806 172.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.97 85.21 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.366 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.604 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 43.1 ttm180 -57.85 -49.94 74.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 86.9 mt -62.55 -33.27 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.818 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.29 -44.36 71.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.601 0.239 . . . . 0.0 111.177 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 18.6 pttp -69.3 -16.79 63.64 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.925 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 88.9 mt -82.33 -55.92 4.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.708 0.289 . . . . 0.0 110.942 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 p -65.65 -30.27 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 120.611 0.243 . . . . 0.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.04 39.98 2.58 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.834 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 45.1 tt0 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.996 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m 63.07 38.81 10.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.033 0.444 . . . . 0.0 111.718 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.61 -35.58 78.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.847 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.84 -25.61 67.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.223 177.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.447 ' HA ' ' OD2' ' A' ' 8' ' ' ASP . 32.3 mt-30 -77.81 -23.65 49.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.701 0.286 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 10' ' ' VAL . 75.3 mt -68.12 -36.98 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 6.4 mm-40 -62.28 -40.14 95.26 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.716 176.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.447 ' OD2' ' HA ' ' A' ' 5' ' ' GLN . 70.5 m-20 -54.56 -48.87 71.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.3 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -52.81 -56.94 12.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.156 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 6' ' ' LEU . 61.8 t -55.48 -44.92 77.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.797 -173.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 60.1 mm-40 -68.38 -48.03 65.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.463 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.39 -61.96 2.0 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.146 0.498 . . . . 0.0 111.101 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.01 -40.67 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.455 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.24 -41.64 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.291 0.091 . . . . 0.0 111.061 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -61.42 -42.31 98.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.074 0.464 . . . . 0.0 110.619 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.8 tmtp? -68.85 -43.17 76.01 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -51.94 -49.49 63.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.379 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.51 -44.69 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.182 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -59.14 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.244 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 24' ' ' VAL . 96.4 mt -66.1 -45.54 80.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -37.92 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.999 0.428 . . . . 0.0 110.024 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -68.1 -41.55 81.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.04 -38.82 92.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.89 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 20' ' ' LEU . 91.4 t -57.4 -57.5 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.195 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.8 79.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.456 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' O ' HD23 ' A' ' 30' ' ' LEU . 73.1 ttt180 -53.06 -59.4 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.902 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.3 mt -62.42 -27.97 69.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.031 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 86.4 mttt -65.22 -47.55 76.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.645 0.26 . . . . 0.0 110.651 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -77.55 -4.73 47.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.617 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 26' ' ' ARG . 2.7 mm? -94.03 -23.9 17.83 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.663 HG12 HG12 ' B' ' 31' ' ' VAL . 15.5 m -65.88 -13.1 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.121 0.418 . . . . 0.0 112.107 -178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 61.2 0.12 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.576 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.501 -0.762 . . . . 0.0 110.078 -177.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 m 63.26 38.84 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.87 -35.32 77.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.85 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.566 ' H ' ' HD2' ' B' ' 4' ' ' LYS . 0.0 OUTLIER -65.79 -25.74 67.39 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.347 177.711 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.455 ' HA ' ' OD2' ' B' ' 8' ' ' ASP . 32.2 mt-30 -77.78 -23.65 49.12 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.523 ' O ' HG23 ' B' ' 10' ' ' VAL . 75.0 mt -68.06 -37.0 80.78 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 6.3 mm-40 -62.16 -40.53 96.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.638 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.455 ' OD2' ' HA ' ' B' ' 5' ' ' GLN . 68.2 m-20 -54.35 -48.97 70.83 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.336 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -52.63 -56.92 11.97 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.211 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 6' ' ' LEU . 60.6 t -55.32 -45.4 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.639 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 59.2 mm-40 -68.2 -47.78 66.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.549 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.5 -61.94 2.0 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.172 0.51 . . . . 0.0 111.225 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.97 -40.73 63.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.436 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.19 -41.7 89.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.392 0.139 . . . . 0.0 111.052 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.1 m -61.35 -42.46 98.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.608 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.7 tmtp? -68.56 -43.19 77.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.37 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -51.98 -49.64 62.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.274 175.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -60.41 -44.96 95.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.007 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -58.97 -39.96 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 24' ' ' VAL . 96.2 mt -66.19 -45.56 80.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -37.72 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.919 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -68.18 -41.62 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.98 -38.84 92.57 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.972 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 20' ' ' LEU . 91.8 t -57.44 -57.58 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.161 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -43.66 79.37 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.498 ' O ' HD23 ' B' ' 30' ' ' LEU . 73.0 ttt180 -53.23 -59.45 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.954 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 75.2 mt -62.4 -28.03 69.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.006 -176.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 24' ' ' VAL . 87.4 mttt -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.592 0.234 . . . . 0.0 110.641 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -77.5 -5.03 48.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.588 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 26' ' ' ARG . 2.7 mm? -93.59 -24.37 17.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.663 HG12 HG12 ' A' ' 31' ' ' VAL . 14.3 m -66.1 -12.41 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.03 61.5 0.12 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.616 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.843 -177.835 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.919 -0.472 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.539 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 17.5 m -120.15 145.13 47.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.9 tpt -50.63 -57.04 9.17 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -171.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -68.35 -36.99 80.04 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 46.5 mt-30 -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.099 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 2' ' ' SER . 96.8 mt -74.35 -49.47 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.825 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.75 -36.95 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.268 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -69.23 -34.17 74.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -59.97 -50.81 72.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.588 175.008 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 6' ' ' LEU . 85.4 t -54.3 -39.23 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.933 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.39 -50.42 63.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.952 -1.476 . . . . 0.0 111.258 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.1 -57.4 10.74 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.293 0.568 . . . . 0.0 110.573 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.0 mt -43.31 -45.29 5.9 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.944 -1.026 . . . . 0.0 113.143 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.2 mm? -55.09 -50.37 69.34 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.64 0.257 . . . . 0.0 111.162 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -60.48 -41.13 93.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.42 -50.14 64.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.559 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.755 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -33.15 70.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.32 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.474 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 16.4 t-80 -59.87 -47.03 87.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.613 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.3 mm? -71.12 -34.75 71.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.99 -37.97 75.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 109.883 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -66.65 -47.76 71.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.777 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 33.8 mm-40 -60.76 -47.78 84.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.822 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 20' ' ' LEU . 65.1 t -54.34 -52.55 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.82 83.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.035 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 34.3 ttm180 -62.93 -53.05 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.298 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 95.5 mt -60.31 -28.05 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.587 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -69.69 -47.55 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.933 0.397 . . . . 0.0 109.978 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -61.7 -36.75 81.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 174.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -67.69 -54.78 16.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.665 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.97 -18.22 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 120.708 0.289 . . . . 0.0 111.593 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.56 -5.96 89.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.417 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.252 178.252 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 17.0 m -120.18 145.28 47.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -50.54 -57.18 8.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -171.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -68.25 -36.8 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' B' ' 9' ' ' LYS . 46.5 mt-30 -65.84 -27.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.048 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.538 ' O ' HG23 ' B' ' 10' ' ' VAL . 96.5 mt -74.33 -49.54 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.753 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.87 -36.81 84.47 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.205 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.28 -33.97 74.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.433 . . . . 0.0 110.354 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -60.14 -50.84 72.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.557 175.036 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 6' ' ' LEU . 85.6 t -54.27 -39.29 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.904 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.37 -50.32 63.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.054 -1.43 . . . . 0.0 111.348 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.22 -57.25 11.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.348 0.595 . . . . 0.0 110.495 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.1 mt -43.39 -45.28 6.09 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 114.862 -1.063 . . . . 0.0 113.086 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.516 HD23 ' O ' ' B' ' 10' ' ' VAL . 2.2 mm? -55.05 -50.5 68.95 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.752 0.251 . . . . 0.0 111.264 177.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -60.64 -40.75 93.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.541 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -49.5 65.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.517 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -57.33 -51.7 68.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.71 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -33.08 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.36 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.477 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 16.2 t-80 -59.98 -47.07 87.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.565 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.4 mm? -70.74 -34.86 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -176.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -57.76 -38.67 75.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 109.982 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.1 -47.82 72.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 36.6 mm-40 -60.66 -47.93 84.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.882 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 20' ' ' LEU . 66.7 t -54.28 -52.68 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 -43.48 83.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.005 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 34.3 ttm180 -63.24 -52.9 60.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.031 0.443 . . . . 0.0 110.352 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.5 mt -60.44 -27.98 67.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.598 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -69.7 -47.5 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -61.92 -36.14 80.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.771 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 91.5 mt -68.4 -54.33 17.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.591 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.17 -18.33 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 120.729 0.3 . . . . 0.0 111.64 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.45 -6.1 89.47 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.16 178.259 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -83.25 177.06 8.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.244 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.02 -41.76 99.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -59.36 -41.89 90.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.961 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -58.5 -42.63 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.294 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.94 -32.22 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 10' ' ' VAL . 36.6 tt0 -66.73 -42.34 86.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 0.0 110.522 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.73 -32.05 71.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.545 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.49 -45.82 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.615 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 7' ' ' GLU . 9.9 p -58.68 -25.9 29.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.44 -55.11 5.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.244 175.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.65 -61.12 2.52 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.161 0.505 . . . . 0.0 111.111 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.75 -51.42 39.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.796 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.97 -41.36 91.79 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 p -66.4 -28.0 68.28 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.414 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.6 tttt -76.55 -40.24 50.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.205 175.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.574 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 18.5 m120 -52.65 -51.31 60.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -50.9 -49.64 58.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.203 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 22.9 t-80 -61.19 -44.79 96.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.819 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 24' ' ' VAL . 33.6 mt -65.13 -43.99 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -178.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 39.0 mt-10 -58.56 -38.32 77.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.847 0.356 . . . . 0.0 110.542 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -47.64 77.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.854 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 59.0 mm-40 -58.13 -46.81 84.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 20' ' ' LEU . 93.9 t -54.62 -50.78 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.567 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.19 -48.06 83.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.436 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -61.58 -50.47 72.51 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 95.8 mt -61.62 -29.67 70.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.433 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.32 -46.61 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -57.47 -42.91 83.52 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.71 -49.87 73.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.493 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 27' ' ' LEU . 57.9 t -65.3 -28.55 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.601 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.19 -44.93 96.07 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.707 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.097 179.558 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -83.27 177.17 8.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.706 0.288 . . . . 0.0 111.276 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.0 ttm -63.27 -41.71 99.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.957 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -58.48 -42.59 87.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.386 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.92 -32.27 67.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.493 ' O ' HG12 ' B' ' 10' ' ' VAL . 36.3 tt0 -66.37 -42.69 87.63 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.64 -31.97 71.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 110.517 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -79.56 -45.67 18.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.619 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 7' ' ' GLU . 9.9 p -58.82 -25.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -79.46 -55.33 5.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.199 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.53 -61.05 2.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.057 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.0 mt -49.79 -51.52 38.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.857 177.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.94 -41.47 91.91 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p -66.37 -27.76 68.12 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.502 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 84.5 tttt -76.67 -40.19 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.289 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.576 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 18.6 m120 -52.64 -51.37 60.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -50.87 -49.53 58.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.271 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 23.2 t-80 -61.12 -44.8 96.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 24' ' ' VAL . 34.6 mt -65.22 -44.04 89.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 -178.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 39.1 mt-10 -58.58 -38.42 77.86 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.821 0.343 . . . . 0.0 110.368 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.77 -47.53 77.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 58.5 mm-40 -58.25 -46.66 85.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.255 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 20' ' ' LEU . 93.4 t -54.73 -50.93 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.597 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.01 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.443 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -61.51 -50.89 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 0.0 110.425 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.5 mt -61.1 -29.7 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.432 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.4 -46.44 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.034 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -57.71 -42.85 84.58 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.72 -49.84 73.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.45 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' LEU . 57.6 t -65.44 -28.47 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.71 -45.66 94.48 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.864 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.001 179.717 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.716 -0.554 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 5' ' ' GLN . 15.7 m -124.59 28.96 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.034 0.445 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.9 tpt -63.98 -46.29 85.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.284 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.37 -22.36 66.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.518 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.437 ' HB3' ' O ' ' A' ' 2' ' ' SER . 7.3 tp-100 -61.96 -46.15 90.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.108 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 6.9 mp -74.23 -29.51 61.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.276 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 71.8 mm-40 -56.98 -56.9 15.77 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.456 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -59.93 -36.56 77.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.622 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -56.6 -57.19 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.096 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 6' ' ' LEU . 94.2 t -56.78 -34.02 42.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 122.17 0.986 . . . . 0.0 108.674 -176.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 42.5 mt-10 -77.16 -46.7 22.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.691 -1.595 . . . . 0.0 112.361 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.06 -55.81 28.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.5 mt -55.55 -40.5 71.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.092 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -64.78 -42.19 95.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.069 0.147 . . . . 0.0 111.009 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -62.57 -38.35 89.75 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.019 0.438 . . . . 0.0 110.692 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 22.9 tptm -71.33 -44.71 64.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.938 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -51.57 -46.51 63.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -56.97 -49.75 74.76 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.503 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.7 -36.41 80.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.878 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 24' ' ' VAL . 90.8 mt -61.87 -46.8 87.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -38.41 70.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.149 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.59 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 13.8 m120 -63.99 -53.04 56.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.66 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -59.61 -38.94 82.63 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 20' ' ' LEU . 79.3 t -54.9 -54.29 25.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.066 0.46 . . . . 0.0 110.108 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.42 -45.64 92.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.089 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 82.8 mtp180 -56.45 -57.56 11.77 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.103 0.478 . . . . 0.0 110.872 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.7 mt -60.93 -31.72 71.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.815 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -71.88 -45.59 60.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 64.4 pttt -67.97 -14.82 63.27 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.66 0.267 . . . . 0.0 110.959 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 90.5 mt -86.96 -57.18 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.924 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.64 -30.76 46.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.55 59.62 0.42 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.079 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.025 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 15.1 m -124.73 29.06 6.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.265 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 11.0 tpt -64.2 -46.15 85.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.309 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.25 -22.56 66.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.486 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.442 ' HB3' ' O ' ' B' ' 2' ' ' SER . 7.2 tp-100 -62.06 -46.01 91.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.901 0.382 . . . . 0.0 110.08 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 6.9 mp -74.18 -29.65 61.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.312 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 72.2 mm-40 -56.68 -57.25 13.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.593 0.235 . . . . 0.0 110.473 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -59.62 -36.71 76.87 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -56.57 -57.16 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.202 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 6' ' ' LEU . 93.1 t -56.73 -34.12 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.647 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' B' ' 7' ' ' GLU . 43.0 mt-10 -77.29 -46.54 22.72 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 113.724 -1.58 . . . . 0.0 112.377 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.0 -55.81 28.48 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.093 0.473 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.46 -40.67 71.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.102 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.76 -42.13 95.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.037 0.135 . . . . 0.0 110.977 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.8 m -62.63 -38.33 89.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 0.0 110.535 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 23.0 tptm -71.33 -44.71 64.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.944 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -51.48 -46.7 63.22 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.887 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.79 -49.74 74.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.606 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -67.68 -36.62 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.587 ' O ' HG23 ' B' ' 24' ' ' VAL . 91.9 mt -61.77 -46.86 87.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.27 70.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.22 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.589 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 13.8 m120 -64.1 -52.91 56.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.65 176.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -59.7 -38.91 82.91 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.08 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 20' ' ' LEU . 78.7 t -54.84 -54.43 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.015 0.436 . . . . 0.0 110.161 176.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.04 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.926 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.597 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 82.8 mtp180 -56.21 -57.39 12.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.829 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.3 mt -61.11 -31.63 71.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.746 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -72.14 -45.08 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 64.7 pttt -68.56 -14.26 62.89 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.7 mt -87.47 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.855 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.68 -30.75 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.73 59.25 0.42 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.122 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.539 -0.744 . . . . 0.0 109.214 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -73.76 156.87 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.633 0.216 . . . . 0.0 110.525 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.0 mtt -57.85 -59.62 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -24.5 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.378 . . . . 0.0 110.932 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -68.64 -49.59 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.334 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 10' ' ' VAL . 94.6 mt -69.99 -35.8 74.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.903 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.31 -44.43 84.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.765 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.6 m-20 -59.25 -42.26 90.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -61.33 -43.66 98.51 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 6' ' ' LEU . 87.1 t -56.06 -35.45 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.33 -51.85 13.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.497 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.1 mt-10 -55.24 -61.55 2.25 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 111.483 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.08 -38.57 65.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.3 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.72 -41.49 83.4 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -60.68 -42.69 97.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.997 0.427 . . . . 0.0 110.045 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG2' HD21 ' B' ' 17' ' ' ASN . 63.9 tttp -67.29 -43.16 82.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.369 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.462 HD21 ' HG2' ' B' ' 16' ' ' LYS . 24.0 t-20 -54.58 -42.14 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.96 -38.51 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.658 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 53.7 t60 -54.81 -51.85 64.51 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.64 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.4 mm? -68.33 -40.54 81.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.613 -175.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -55.46 -42.9 74.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.679 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -64.03 -45.08 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.857 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.14 -40.69 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.936 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG21 HD12 ' B' ' 20' ' ' LEU . 54.4 t -54.19 -51.69 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-O 121.162 0.506 . . . . 0.0 110.2 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.49 95.02 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.991 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 71.9 ttt180 -64.19 -53.29 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 84.1 mt -61.24 -25.9 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.388 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -67.61 -47.79 68.67 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -61.03 -32.46 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.994 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 74.6 mt -74.02 -46.14 45.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.736 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 27' ' ' LEU . 45.9 t -65.7 -30.16 49.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.908 174.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.25 -78.02 0.47 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.986 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.408 -179.206 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -73.73 156.72 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.602 0.201 . . . . 0.0 110.542 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 63.9 mtt -57.86 -59.46 5.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -173.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -24.53 67.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.48 -49.76 57.42 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.294 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.563 ' O ' HG23 ' B' ' 10' ' ' VAL . 94.1 mt -69.91 -35.85 74.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.868 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.49 -44.05 84.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.846 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 3.8 m-20 -59.6 -42.15 91.92 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.889 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.408 ' HB2' HG22 ' A' ' 10' ' ' VAL . 20.0 mmmt -61.27 -43.73 98.4 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 6' ' ' LEU . 81.6 t -55.97 -35.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -74.14 -52.17 13.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.487 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 42.9 mt-10 -55.03 -61.58 2.22 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.097 0.475 . . . . 0.0 111.532 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.09 -38.56 65.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.322 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.74 -41.46 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 26.0 t -60.56 -43.06 97.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 110.06 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.462 ' HG2' HD21 ' A' ' 17' ' ' ASN . 63.7 tttp -67.09 -43.07 83.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.326 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.433 HD21 ' HG2' ' A' ' 16' ' ' LYS . 24.0 t-20 -54.64 -42.08 70.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.97 -38.57 86.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' B' ' 16' ' ' LYS . 54.7 t60 -54.68 -52.17 63.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.573 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.64 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -67.92 -40.56 83.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.739 -175.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.76 -42.86 76.07 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.805 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -63.83 -44.83 92.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.014 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.35 -40.67 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.988 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 20' ' ' LEU . 54.5 t -54.27 -51.56 46.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.071 0.462 . . . . 0.0 110.192 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.58 94.95 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.136 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.468 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 72.2 ttt180 -64.29 -53.28 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 85.7 mt -61.13 -25.78 67.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.433 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -67.75 -47.86 68.03 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -60.97 -32.81 72.35 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 74.6 mt -73.42 -46.34 49.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.755 -176.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 27' ' ' LEU . 46.1 t -65.68 -30.26 49.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.777 0.323 . . . . 0.0 110.834 174.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.17 -77.94 0.48 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.539 -179.388 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -82.88 171.1 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.703 0.252 . . . . 0.0 110.689 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -56.0 -49.29 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.646 0.26 . . . . 0.0 110.333 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -61.7 -46.21 90.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.58 -43.78 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.8 mt -74.18 -31.88 62.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.343 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 6.8 tp10 -57.88 -46.19 85.24 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.511 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -57.15 -46.86 82.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.854 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -54.38 -54.59 38.56 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.333 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 6' ' ' LEU . 95.0 t -53.08 -45.68 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.712 -175.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 11.4 pt-20 -75.25 -42.24 55.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.383 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.32 -52.31 65.8 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.25 -45.5 94.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.246 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -44.14 96.84 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.0 p -62.75 -35.46 79.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.427 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HE3' HD21 ' A' ' 20' ' ' LEU . 54.2 tptt -71.41 -40.75 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.2 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -51.67 -44.54 63.11 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.878 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -62.13 -47.88 82.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.297 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -62.55 -50.07 72.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.34 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 24' ' ' VAL . 94.7 mt -59.66 -44.5 93.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.021 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.65 79.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.62 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 13.1 m120 -72.23 -42.41 65.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.63 71.13 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.325 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 20' ' ' LEU . 90.1 t -54.07 -49.95 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.14 81.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.111 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 45.7 mtt85 -66.13 -45.09 82.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.972 0.415 . . . . 0.0 110.435 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 90.2 mt -61.9 -29.73 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.124 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.41 -42.77 87.33 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 110.58 -0.156 . . . . 0.0 110.58 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.26 -36.54 66.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.744 0.306 . . . . 0.0 111.131 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.43 -50.2 13.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.4 t -64.92 -30.48 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.553 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.3 -25.76 74.84 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.066 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.865 -0.588 . . . . 0.0 110.536 -178.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -82.87 170.85 14.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.757 0.279 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -55.77 -49.14 73.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.48 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.02 -46.12 90.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.081 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.61 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.0 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 10' ' ' VAL . 97.4 mt -74.37 -31.84 62.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.253 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 6.6 tp10 -57.81 -46.51 84.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.433 177.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -57.07 -46.41 82.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.911 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.78 -54.4 42.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.348 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 6' ' ' LEU . 95.3 t -53.15 -45.68 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.672 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 11.4 pt-20 -75.44 -42.15 54.04 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.317 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -60.33 -52.16 66.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.421 0.629 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.38 -45.65 93.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.204 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 tp -63.14 -43.86 97.17 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 p -62.66 -35.45 79.68 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.506 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.439 ' HE3' HD21 ' B' ' 20' ' ' LEU . 54.0 tptt -71.56 -40.98 69.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.193 176.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.7 -44.34 63.12 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -62.17 -47.8 82.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.26 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -62.49 -50.37 71.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.319 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.562 ' O ' HG23 ' B' ' 24' ' ' VAL . 95.4 mt -59.58 -44.7 93.26 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.197 0.31 . . . . 0.0 110.928 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -36.47 78.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.082 0.467 . . . . 0.0 110.666 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 13.3 m120 -72.3 -42.02 65.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 -50.43 72.52 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 20' ' ' LEU . 90.4 t -53.97 -50.45 53.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.818 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.69 81.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.363 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 45.7 mtt85 -66.38 -45.08 81.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.95 0.405 . . . . 0.0 110.425 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.4 mt -61.98 -29.75 70.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.094 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.27 -42.77 87.97 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.494 0.188 . . . . 0.0 110.663 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -55.66 -36.0 66.61 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.196 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.86 -50.39 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.592 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 27' ' ' LEU . 46.4 t -64.75 -30.88 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.518 0.199 . . . . 0.0 111.47 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.93 -26.2 74.4 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.94 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.142 -178.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 p 46.78 29.36 0.97 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.222 1.009 . . . . 0.0 113.529 177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.417 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 58.9 mtt -72.12 -45.1 61.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' A' ' 7' ' ' GLU . 9.5 mtmp? -61.38 -37.4 83.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.684 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 44.5 mt-30 -64.28 -41.25 96.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.059 177.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.8 mt -73.17 -43.91 60.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.468 -177.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 3' ' ' MET . 13.3 pt-20 -72.1 -22.84 61.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.275 -176.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -45.63 83.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 173.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 42.2 mttm -56.11 -50.09 72.05 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 174.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' LEU . 86.2 t -53.59 -41.24 45.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.067 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.78 -52.44 25.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.25 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.73 -57.44 12.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.143 0.497 . . . . 0.0 110.976 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.2 -44.14 64.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.228 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -66.25 -42.5 88.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.287 0.089 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -58.86 -44.98 91.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.942 0.401 . . . . 0.0 110.316 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -69.41 -41.68 76.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.376 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -54.59 -49.78 69.6 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.502 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.2 -46.95 72.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.071 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -63.53 -43.78 96.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.867 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 24' ' ' VAL . 93.9 mt -64.26 -44.65 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.58 -36.95 82.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.851 0.358 . . . . 0.0 110.353 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.01 -46.31 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -67.19 -40.37 86.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 20' ' ' LEU . 94.1 t -53.81 -54.15 21.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 121.04 0.448 . . . . 0.0 110.206 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.06 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.906 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' O ' HD23 ' A' ' 30' ' ' LEU . 79.8 ttt180 -58.47 -56.13 26.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.91 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 94.9 mt -59.46 -28.94 67.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.659 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -73.54 -49.81 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.629 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.01 -31.35 72.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.668 0.27 . . . . 0.0 110.573 175.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 26' ' ' ARG . 3.7 mm? -71.31 -56.97 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.639 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.77 -30.73 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.66 137.93 5.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.9 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.649 -179.767 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p 46.41 29.44 0.88 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.42 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 58.8 mtt -71.95 -44.91 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.415 ' HA ' ' HG2' ' B' ' 7' ' ' GLU . 9.6 mtmp? -61.69 -37.55 84.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.538 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 44.8 mt-30 -64.05 -41.28 97.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.999 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.47 ' O ' HG23 ' B' ' 10' ' ' VAL . 95.8 mt -73.13 -43.96 60.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.565 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 3' ' ' MET . 13.5 pt-20 -72.48 -22.35 61.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.265 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -45.63 82.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 110.328 173.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 42.2 mttm -56.25 -50.05 72.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 6' ' ' LEU . 86.1 t -53.69 -41.16 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 115.054 -0.976 . . . . 0.0 108.943 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.78 -52.24 26.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.156 -1.383 . . . . 0.0 111.351 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.79 -57.66 11.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.071 0.462 . . . . 0.0 110.971 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.0 -44.24 64.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.207 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.16 -42.34 89.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.355 0.071 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -59.04 -44.9 91.84 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 110.197 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -69.53 -41.87 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.383 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.29 -49.79 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.551 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.19 -47.12 72.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.09 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -63.38 -43.93 96.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 24' ' ' VAL . 93.8 mt -64.11 -44.65 91.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.679 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.43 -37.28 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.404 . . . . 0.0 110.416 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.95 -46.12 92.0 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.639 177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.07 -40.41 87.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 20' ' ' LEU . 94.4 t -53.77 -54.31 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 121.259 0.552 . . . . 0.0 110.202 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.83 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.873 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.45 ' O ' HD23 ' B' ' 30' ' ' LEU . 79.8 ttt180 -58.68 -56.15 25.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.888 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 94.9 mt -59.51 -28.8 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.616 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -73.64 -49.6 25.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.711 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -31.11 72.18 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.608 175.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 26' ' ' ARG . 3.7 mm? -71.83 -56.4 5.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.725 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.17 -30.4 47.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.31 138.5 5.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.921 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -80.72 172.59 13.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.673 0.273 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.16 -35.87 81.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.836 0.351 . . . . 0.0 110.397 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 64.6 mmtt -64.56 -34.45 78.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.645 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -62.68 -38.54 90.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.382 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 10' ' ' VAL . 90.8 mt -72.8 -36.27 67.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.978 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -60.71 -37.9 83.26 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.282 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -61.99 -42.45 99.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.52 -49.34 78.15 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 6' ' ' LEU . 75.7 t -54.97 -38.31 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-O 122.026 0.917 . . . . 0.0 108.624 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.91 -52.06 22.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.595 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.37 -54.36 47.92 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.884 0.373 . . . . 0.0 111.09 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.21 -39.6 75.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.396 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.27 -41.06 97.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.614 0.245 . . . . 0.0 110.663 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -69.02 -34.07 74.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.54 -50.66 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.819 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -55.3 -45.23 76.25 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.85 -40.08 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.248 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -63.65 -55.2 25.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.62 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.0 mm? -69.03 -37.19 78.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -63.68 -30.45 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.872 0.367 . . . . 0.0 110.48 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.39 -47.64 19.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.51 -42.97 88.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.084 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG23 HG23 ' B' ' 24' ' ' VAL . 55.5 t -55.24 -52.65 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-O 120.939 0.399 . . . . 0.0 110.474 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.11 79.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.608 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' O ' HD13 ' A' ' 30' ' ' LEU . 43.1 mtm105 -70.59 -53.43 15.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 110.204 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.9 mt -61.12 -24.12 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.544 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -75.25 -48.38 23.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.701 -174.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -70.6 -15.61 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.524 -0.471 . . . . 0.0 111.148 174.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 26' ' ' ARG . 2.7 mp -76.86 -52.48 9.41 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 175.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.7 -31.06 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.975 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.28 56.01 0.68 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.736 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.087 175.472 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 68.4 p -80.72 172.6 13.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.683 0.277 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 68.1 mtt -65.95 -35.91 81.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.787 0.327 . . . . 0.0 110.425 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -64.67 -34.08 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.693 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.109 0.48 . . . . 0.0 110.397 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.505 ' O ' HG23 ' B' ' 10' ' ' VAL . 90.0 mt -72.62 -35.97 67.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.15 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.03 -37.17 81.64 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.314 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -62.45 -42.7 99.66 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.707 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -59.38 -49.21 78.69 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 6' ' ' LEU . 73.4 t -55.18 -38.22 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 122.057 0.932 . . . . 0.0 108.66 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.83 -52.1 22.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.652 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.4 -54.11 50.69 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.963 0.411 . . . . 0.0 111.126 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.27 -39.56 75.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.377 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -64.36 -41.21 96.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.709 0.29 . . . . 0.0 110.562 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -68.75 -34.19 75.18 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.272 0.558 . . . . 0.0 109.552 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.59 -50.63 66.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.72 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -55.36 -45.27 76.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.566 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.74 -39.95 53.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.238 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -64.15 -54.95 25.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.578 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.45 HD12 HG21 ' A' ' 24' ' ' VAL . 3.0 mm? -69.19 -36.89 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.916 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -63.9 -30.3 71.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.317 . . . . 0.0 110.565 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -77.51 -47.63 19.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.672 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -43.02 89.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.457 HG23 HG23 ' A' ' 24' ' ' VAL . 55.7 t -55.26 -52.5 44.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.99 0.424 . . . . 0.0 110.524 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.26 79.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.46 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.493 ' O ' HD13 ' B' ' 30' ' ' LEU . 43.0 mtm105 -70.67 -53.55 15.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.0 mt -60.83 -24.03 65.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.628 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -75.31 -48.45 23.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.746 -174.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -70.55 -15.81 62.81 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.217 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.493 HD13 ' O ' ' B' ' 26' ' ' ARG . 2.7 mp -76.48 -52.95 8.82 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.47 175.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.39 -31.07 52.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.25 55.58 0.7 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.071 175.645 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.02 -0.432 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -73.35 162.15 29.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.3 ttm -58.81 -56.87 16.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.409 0.147 . . . . 0.0 111.059 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.48 -30.41 71.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.649 0.261 . . . . 0.0 111.304 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 58.3 tt0 -66.88 -49.41 65.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.8 mt -63.7 -34.65 78.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.13 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.08 -48.66 75.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.655 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -62.23 -44.16 97.2 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.351 178.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 11.7 mmmm -53.18 -47.58 68.73 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.371 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 6' ' ' LEU . 58.3 t -55.39 -39.09 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-O 121.921 0.867 . . . . 0.0 108.73 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -72.24 -47.47 50.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.993 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 45.7 mt-10 -55.1 -58.5 7.42 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.142 0.496 . . . . 0.0 111.295 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.25 -37.53 72.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.311 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.66 -41.18 98.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.508 0.194 . . . . 0.0 110.658 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -60.21 -43.9 95.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.118 0.485 . . . . 0.0 109.979 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -68.28 -42.88 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.495 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 19.9 t-20 -54.98 -43.37 73.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -60.25 -38.6 83.96 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 12.2 t-80 -58.0 -51.94 67.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.664 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.6 mm? -66.13 -38.43 88.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 49.9 mt-10 -56.55 -43.35 79.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.943 0.401 . . . . 0.0 110.471 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.542 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 5.3 m-20 -68.08 -42.61 80.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.953 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 28.3 mm-40 -58.58 -46.22 87.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.4 t -53.92 -51.99 40.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.004 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.96 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.28 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 34.3 mmt180 -63.97 -43.07 96.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 110.701 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.8 mt -64.61 -33.79 76.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.415 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.37 -40.59 81.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.369 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -57.09 -34.5 68.37 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.834 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.58 -54.58 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.277 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.98 -33.03 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 111.416 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.89 -79.21 0.35 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.249 1.074 0 O-C-N 124.152 0.56 . . . . 0.0 111.848 173.43 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -73.47 162.12 29.64 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.7 ttm -58.96 -56.46 21.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.438 0.161 . . . . 0.0 111.023 -175.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -63.02 -30.21 71.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 58.8 tt0 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.359 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.619 ' O ' HG23 ' B' ' 10' ' ' VAL . 97.7 mt -63.96 -34.74 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.148 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.26 -48.31 76.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.769 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -62.5 -43.69 98.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 178.303 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 11.7 mmmm -53.55 -47.47 70.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.351 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 6' ' ' LEU . 57.6 t -55.32 -39.26 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.079 0.943 . . . . 0.0 108.738 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -72.17 -47.66 49.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.964 -1.471 . . . . 0.0 111.903 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.8 mt-10 -55.17 -57.78 10.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.09 0.471 . . . . 0.0 111.393 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.81 -37.8 74.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.336 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.96 -42.06 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.542 -0.169 . . . . 0.0 110.542 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.04 -42.91 95.44 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.118 0.485 . . . . 0.0 110.178 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -68.85 -42.96 76.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 20.0 t-20 -55.08 -42.95 73.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -60.34 -38.95 85.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.698 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.605 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 12.0 t-80 -57.82 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.664 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.7 mm? -66.12 -38.22 87.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.334 -175.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 50.7 mt-10 -56.95 -42.78 80.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.646 178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.541 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.2 m-20 -68.35 -42.75 78.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.844 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 27.1 mm-40 -58.61 -46.33 87.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.502 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 20' ' ' LEU . 56.4 t -53.98 -51.93 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.993 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.87 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.361 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 34.2 mmt180 -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.038 0.447 . . . . 0.0 110.757 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 90.5 mt -64.75 -33.88 77.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.428 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -40.89 81.24 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.398 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -56.7 -34.54 67.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.57 -54.7 14.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.204 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.86 -33.09 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.352 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.96 -79.31 0.35 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.25 1.096 0 O-C-N 124.177 0.575 . . . . 0.0 111.927 172.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -133.48 32.55 3.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.367 0.603 . . . . 0.0 109.41 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.451 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -67.48 -41.64 84.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.441 -173.053 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -62.34 -34.17 76.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.6 mm100 -71.57 -53.86 12.36 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.734 -174.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.603 ' HG ' ' HG ' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -71.1 -27.26 63.48 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.719 -174.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.0 -38.32 82.27 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.708 0.29 . . . . 0.0 110.526 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.23 -50.18 42.41 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.893 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 33.4 mtmt -58.75 -51.11 71.35 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.59 -30.94 50.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.801 0.81 . . . . 0.0 108.961 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.56 -50.55 13.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.606 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.37 -56.56 19.55 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.574 0.349 . . . . 0.0 111.338 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -49.27 -51.67 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.48 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.48 -37.75 79.06 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 123.361 0.413 . . . . 0.0 111.024 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 t -61.66 -38.58 88.25 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 109.794 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.11 -38.16 72.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.248 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 19.9 m120 -54.18 -51.47 64.27 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -50.73 -51.72 47.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.789 0.681 . . . . 0.0 111.16 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -60.5 -50.9 71.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.535 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 24' ' ' VAL . 86.4 mt -62.73 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 1.9 tm-20 -61.21 -39.97 92.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.93 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.29 -41.81 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.721 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.09 -36.73 82.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.972 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 20' ' ' LEU . 80.7 t -58.25 -58.53 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.021 0.438 . . . . 0.0 110.1 177.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.61 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.601 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -52.77 -54.41 34.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.281 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 73.5 mt -65.68 -31.79 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.025 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.56 -43.48 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.687 0.28 . . . . 0.0 110.634 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -56.27 -34.25 66.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.892 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.0 mt -79.48 -58.0 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.274 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' B' ' 31' ' ' VAL . 13.2 p -66.95 -30.95 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.76 47.72 4.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.91 -178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.001 -177.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -133.1 32.52 3.73 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' B' ' 6' ' ' LEU . 0.6 OUTLIER -67.22 -41.9 84.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.403 -173.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.3 -33.89 75.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 110.581 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 13.4 mm100 -71.82 -53.74 12.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.801 -173.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.603 ' HG ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.23 -27.13 63.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.661 -174.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.04 -38.56 83.1 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.067 0.229 . . . . 0.0 110.63 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -69.79 -50.71 40.46 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.86 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 33.1 mtmt -58.57 -51.01 71.72 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.153 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.79 -30.67 49.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.947 0.88 . . . . 0.0 109.019 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -76.69 -50.43 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.627 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.36 -56.76 17.09 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 122.606 0.363 . . . . 0.0 111.305 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.16 -51.71 30.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.367 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.3 -37.56 78.03 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.311 0.382 . . . . 0.0 111.149 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.4 t -61.86 -38.95 90.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.191 0.52 . . . . 0.0 109.672 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.7 -38.3 73.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.254 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 20.2 m120 -54.27 -51.53 64.27 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -50.61 -51.71 46.07 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.687 0.617 . . . . 0.0 111.114 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -60.47 -50.87 71.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.619 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.59 ' O ' HG23 ' B' ' 24' ' ' VAL . 86.9 mt -62.8 -43.54 98.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.749 0.309 . . . . 0.0 110.823 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 1.7 tm-20 -61.04 -40.07 92.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -67.26 -41.82 84.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -62.16 -36.54 82.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.041 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 20' ' ' LEU . 80.6 t -58.43 -58.41 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 177.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.68 82.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.557 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -52.57 -54.4 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.282 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.9 mt -65.75 -31.76 72.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.066 -179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.54 -43.4 94.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.571 0.224 . . . . 0.0 110.628 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -56.77 -33.68 66.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.981 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.62 -58.06 3.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' A' ' 31' ' ' VAL . 13.3 p -67.15 -30.89 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.81 47.71 4.7 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.848 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.122 -177.7 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -91.83 176.92 6.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.665 0.233 . . . . 0.0 110.577 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.6 ttm -65.81 -48.65 71.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.913 0.387 . . . . 0.0 110.142 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.47 -28.92 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.39 -44.02 96.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.911 0.386 . . . . 0.0 109.997 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.6 mt -68.14 -35.85 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.1 -38.42 82.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.859 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -62.33 -44.59 96.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HB2' HG22 ' B' ' 10' ' ' VAL . 10.4 mmmm -56.59 -49.54 74.6 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.335 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' LEU . 59.5 t -57.36 -37.73 58.75 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 122.106 0.955 . . . . 0.0 108.86 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -53.7 17.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.981 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.03 -51.58 68.59 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 111.827 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -52.7 -34.99 54.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.712 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.8 mm? -60.38 -45.68 92.66 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.822 0.344 . . . . 0.0 110.739 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -61.84 -38.82 89.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.849 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.616 ' HE2' HD21 ' A' ' 20' ' ' LEU . 22.6 tptm -66.55 -47.54 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.017 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 39.0 t30 -50.87 -54.64 22.2 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.96 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -66.85 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.993 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -60.83 -48.89 79.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.7 mm? -75.23 -35.95 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -176.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 48.6 mt-10 -57.64 -44.68 85.79 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.352 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.567 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 10.4 m120 -62.46 -46.72 87.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.985 177.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.76 -47.53 79.89 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.286 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 61.8 t -55.13 -53.27 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.554 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.91 72.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.324 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.5 mtt180 -64.17 -51.52 63.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.319 0.58 . . . . 0.0 110.058 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.544 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 57.6 mt -65.88 -24.73 66.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.801 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 71.4 mmtt -67.24 -52.73 37.36 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -64.1 -21.4 66.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.217 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 87.7 mt -76.85 -53.7 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.692 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.73 -31.95 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.59 92.2 0.42 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.527 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -91.75 177.34 6.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.692 0.246 . . . . 0.0 110.552 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 54.2 ttm -66.01 -49.0 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.35 -28.94 70.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.32 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -44.25 95.18 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.563 ' O ' HG23 ' B' ' 10' ' ' VAL . 95.5 mt -68.04 -36.17 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.183 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.74 -38.36 81.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.944 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.48 -44.52 96.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.426 ' HB2' HG22 ' A' ' 10' ' ' VAL . 10.4 mmmm -56.59 -49.34 75.19 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.364 176.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.563 HG23 ' O ' ' B' ' 6' ' ' LEU . 59.1 t -57.69 -37.33 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 122.146 0.974 . . . . 0.0 108.869 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -53.51 16.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.933 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.85 -51.9 67.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -52.48 -34.64 50.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.775 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 10' ' ' VAL . 1.9 mm? -60.62 -45.97 92.03 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.671 0.272 . . . . 0.0 110.768 175.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -61.41 -38.96 88.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.987 0.422 . . . . 0.0 110.015 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.621 ' HE2' HD21 ' B' ' 20' ' ' LEU . 22.6 tptm -66.58 -47.67 72.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 38.6 t30 -50.98 -54.34 25.25 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.891 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -66.87 -33.43 75.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.052 -176.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -60.65 -49.0 79.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.65 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.8 mm? -74.91 -35.97 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.223 -176.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 47.7 mt-10 -57.93 -44.25 86.79 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.56 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.561 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 10.2 m120 -62.68 -47.01 85.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.87 177.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.55 -47.59 79.13 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.422 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 63.0 t -55.05 -53.36 34.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.605 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.81 72.12 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.254 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 64.4 mtt180 -64.24 -51.42 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.355 0.597 . . . . 0.0 109.996 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 58.0 mt -65.98 -24.81 66.86 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.725 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 71.4 mmtt -67.15 -52.97 35.02 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.76 -21.69 66.54 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.173 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 88.3 mt -76.92 -53.13 8.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.801 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.97 -32.2 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.66 92.33 0.42 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.21 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -85.1 176.71 8.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.8 ptm -68.26 -29.12 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.33 -47.53 81.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.269 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.05 -36.09 76.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.788 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 10' ' ' VAL . 92.6 mt -70.88 -37.73 73.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.094 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.58 -43.64 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.86 -31.59 71.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 67.6 mttm -69.0 -46.6 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.064 175.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 6' ' ' LEU . 84.7 t -56.91 -28.71 29.16 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -78.15 -59.49 2.76 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.469 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 9' ' ' LYS . 10.6 pt-20 -64.6 -44.22 91.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 111.565 -173.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.51 -41.53 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.624 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.95 -40.07 95.6 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.091 0.156 . . . . 0.0 110.851 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -57.31 -48.17 79.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.38 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 64.0 tttp -67.72 -39.28 84.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.537 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.423 HD21 ' CG ' ' B' ' 16' ' ' LYS . 26.2 t-20 -56.43 -53.92 51.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.971 177.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.5 -36.64 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -61.17 -51.72 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.355 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 24' ' ' VAL . 91.5 mt -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.335 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -65.84 -22.79 66.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.75 0.31 . . . . 0.0 110.396 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 87.7 m-20 -69.4 -52.35 27.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.973 176.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -58.43 -41.87 86.02 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.723 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 20' ' ' LEU . 85.5 t -53.2 -53.12 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.059 0.457 . . . . 0.0 110.473 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.6 93.65 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.055 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 5.7 mmp_? -60.7 -52.3 65.71 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.972 0.415 . . . . 0.0 110.539 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 92.0 mt -61.53 -27.62 68.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.59 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -67.2 -50.75 59.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.4 -36.23 77.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.134 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 92.6 mt -68.74 -54.15 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.304 -177.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.61 -17.08 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.79 63.16 3.82 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.41 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.51 178.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -85.48 176.67 8.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.1 ptm -68.03 -29.37 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.28 -47.3 82.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.854 0.359 . . . . 0.0 110.256 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.18 -36.15 76.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.733 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.559 ' O ' HG23 ' B' ' 10' ' ' VAL . 93.9 mt -70.72 -37.83 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.049 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.54 -43.55 96.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.79 -31.9 72.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.449 ' HA ' ' HG2' ' B' ' 12' ' ' GLU . 67.6 mttm -68.9 -46.4 68.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.109 175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 6' ' ' LEU . 87.3 t -57.16 -28.63 30.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -78.32 -59.31 2.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.571 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' B' ' 9' ' ' LYS . 10.5 pt-20 -64.69 -44.38 90.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.459 -173.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.26 -41.61 93.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.655 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 122.202 0.201 . . . . 0.0 110.976 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 43.8 t -57.74 -47.9 81.16 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.319 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.9 tttp -67.67 -39.3 84.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.459 HD21 ' CG ' ' A' ' 16' ' ' LYS . 26.2 t-20 -56.33 -54.24 47.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.929 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.38 -36.5 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.443 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -61.28 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.557 ' O ' HG23 ' B' ' 24' ' ' VAL . 93.0 mt -60.9 -38.95 87.49 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.124 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 20' ' ' LEU . 8.5 tt0 -65.76 -22.83 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.436 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 88.0 m-20 -69.25 -52.25 29.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.048 176.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.74 -41.77 87.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 20' ' ' LEU . 86.4 t -53.14 -53.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-O 121.145 0.497 . . . . 0.0 110.54 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.75 93.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.089 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.536 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 5.7 mmp_? -60.62 -52.55 64.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 110.462 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 91.7 mt -61.22 -27.76 68.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.58 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -67.18 -50.95 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -60.19 -36.67 78.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.01 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 92.2 mt -68.19 -54.28 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.349 -177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.55 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.63 62.68 3.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.399 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.497 178.611 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -150.92 131.71 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 mmt -66.37 -29.55 69.75 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.73 -50.93 69.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.037 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.641 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 53.7 tt0 -64.39 -53.13 53.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.043 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.848 HD23 HD23 ' B' ' 6' ' ' LEU . 0.1 OUTLIER -45.39 -51.89 10.72 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.106 177.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' N ' HD13 ' A' ' 6' ' ' LEU . 32.8 tt0 -52.97 -52.17 59.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 111.375 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.8 m-20 -68.73 -49.25 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.906 -176.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 20.8 mmmt -66.04 -44.85 83.44 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 p -60.62 -29.19 44.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.26 -52.63 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.913 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 43.5 mt-10 -55.95 -60.24 3.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.146 0.498 . . . . 0.0 111.033 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.5 mt -47.52 -48.08 27.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.072 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 tp -68.94 -44.12 73.69 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.211 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -58.51 -46.5 86.6 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 88.5 tttt -70.99 -39.17 72.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.396 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -54.82 -50.39 68.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.61 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -55.92 -45.01 78.84 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.293 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -64.8 -45.15 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 24' ' ' VAL . 92.4 mt -63.55 -46.88 83.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.018 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.3 -43.51 83.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 110.049 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.49 -33.22 74.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.8 -45.32 68.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.576 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 20' ' ' LEU . 98.9 t -53.29 -56.74 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 123.565 0.541 . . . . 0.0 110.124 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -41.65 79.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.182 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -62.91 -52.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.404 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 73.5 mt -63.78 -25.54 68.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.478 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 72.2 mmtt -62.64 -49.25 75.91 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.69 -30.04 69.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.29 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.9 -47.82 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -65.46 -31.59 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.181 175.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.57 -145.15 15.88 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.836 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.855 0.462 . . . . 0.0 110.128 -177.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -150.84 131.24 13.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.4 mmt -65.79 -29.57 70.08 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.673 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.2 -50.57 69.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.923 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.641 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 53.9 tt0 -64.43 -53.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.001 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.848 HD23 HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -45.3 -51.75 10.6 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.213 177.064 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.497 ' N ' HD13 ' B' ' 6' ' ' LEU . 34.1 tt0 -53.2 -52.06 60.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 0.0 111.317 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 5.7 m-20 -68.92 -49.24 59.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.957 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 20.9 mmmt -65.95 -44.82 83.93 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 p -60.53 -29.22 44.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -76.33 -52.39 10.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.005 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.6 mt-10 -56.13 -59.98 4.14 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.202 0.525 . . . . 0.0 110.999 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -47.79 -48.19 30.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.946 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 tp -68.89 -44.18 73.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.365 -0.134 . . . . 0.0 111.198 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.6 m -58.22 -46.75 85.31 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 88.4 tttt -71.06 -38.92 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.366 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -55.04 -50.51 68.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.589 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.72 -45.2 77.96 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.264 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -64.74 -45.39 86.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.551 ' O ' HG23 ' B' ' 24' ' ' VAL . 92.6 mt -63.29 -46.86 84.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.39 -43.56 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 110.041 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.5 -33.18 74.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.137 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.73 -45.14 68.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.609 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 99.6 t -53.47 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.501 0.501 . . . . 0.0 110.138 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.25 -41.6 79.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.303 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -62.81 -52.53 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 73.6 mt -63.48 -25.67 68.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.505 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 72.2 mmtt -62.55 -49.06 76.77 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -60.81 -30.06 69.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.32 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.97 -47.98 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.569 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 27' ' ' LEU . 60.3 t -65.26 -31.74 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 111.132 176.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.9 -144.88 15.86 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.813 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.107 -177.776 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t 64.9 108.21 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.464 0.649 . . . . 0.0 111.865 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.9 mtt -69.24 -24.36 63.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.027 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -72.31 -49.46 34.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.59 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 53.4 tp60 -63.36 -44.05 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.479 0.18 . . . . 0.0 110.662 -178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 10' ' ' VAL . 91.9 mt -61.03 -37.03 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.347 . . . . 0.0 110.07 177.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.22 -43.39 98.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.655 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.31 -44.23 88.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.77 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 33.6 mtpt -58.39 -51.22 70.76 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.028 175.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 6' ' ' LEU . 97.4 t -55.23 -41.16 59.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-O 122.012 0.91 . . . . 0.0 108.916 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.49 -52.01 37.08 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.38 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.04 -57.8 11.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.981 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -50.86 -44.85 59.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.336 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 tp -63.65 -42.54 98.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.539 0.209 . . . . 0.0 110.967 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -60.55 -43.13 97.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.487 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -72.63 -40.83 66.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -52.61 -50.35 63.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.029 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.17 -30.36 71.0 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.438 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -60.92 -51.01 71.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.632 HD12 HG21 ' B' ' 24' ' ' VAL . 3.2 mm? -68.8 -35.34 76.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.616 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -52.65 -44.79 66.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.96 0.41 . . . . 0.0 110.8 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -67.84 -43.59 79.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -48.66 80.8 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.625 HG21 HD12 ' B' ' 20' ' ' LEU . 79.3 t -53.13 -50.97 43.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 123.589 0.556 . . . . 0.0 110.544 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.82 95.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.135 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 8.3 ttp180 -64.97 -45.64 84.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.687 0.28 . . . . 0.0 111.185 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 83.4 mt -63.67 -31.77 73.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.2 -45.27 81.36 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.12 -41.87 79.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.973 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 81.8 mt -64.76 -55.81 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.397 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.62 2.9 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.049 0.452 . . . . 0.0 111.664 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.47 49.37 3.18 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.87 -175.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.529 177.034 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t 65.04 108.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.466 0.65 . . . . 0.0 111.906 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -69.04 -24.41 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.053 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -72.22 -49.44 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 51.8 tp60 -63.45 -44.11 95.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.261 -0.175 . . . . 0.0 110.713 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 10' ' ' VAL . 91.2 mt -60.86 -37.07 80.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.1 177.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -63.17 -43.72 97.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.62 177.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.07 -44.17 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.694 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 33.3 mtpt -58.26 -51.5 69.49 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 6' ' ' LEU . 96.4 t -55.08 -41.32 58.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-O 122.045 0.926 . . . . 0.0 108.996 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.22 -52.02 38.89 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.862 -1.517 . . . . 0.0 111.435 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.15 -57.85 10.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 110.965 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -50.84 -44.76 59.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.414 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 70.0 tp -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.576 0.171 . . . . 0.0 110.962 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.6 m -60.44 -43.03 97.23 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.473 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -72.6 -41.17 65.9 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -52.39 -50.38 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.007 0.432 . . . . 0.0 109.922 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.36 -30.25 71.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.448 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -60.88 -51.17 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.625 HD12 HG21 ' A' ' 24' ' ' VAL . 3.2 mm? -68.72 -35.24 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.86 -44.44 66.82 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.874 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -68.09 -43.33 78.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -48.68 80.7 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.957 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 20' ' ' LEU . 77.6 t -53.06 -51.06 42.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.69 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.09 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 8.4 ttp180 -65.06 -45.59 84.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.625 0.25 . . . . 0.0 111.23 -178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 83.5 mt -63.64 -31.63 72.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.481 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.14 -45.97 79.15 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.8 -41.4 77.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.043 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 82.4 mt -65.46 -55.19 19.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.429 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.96 2.92 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.074 0.464 . . . . 0.0 111.683 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.28 48.69 3.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.935 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.684 177.328 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.176 -0.37 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -80.91 67.91 6.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.034 0.445 . . . . 0.0 111.105 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -72.7 -43.68 62.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 7' ' ' GLU . 8.0 mtpm? -63.85 -28.94 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.09 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -60.21 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.402 . . . . 0.0 110.123 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.7 mt -71.21 -30.23 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.025 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . 34.9 tt0 -59.55 -42.15 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.687 177.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 12.0 m-20 -60.53 -45.79 92.54 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.489 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -53.99 -50.13 67.27 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.195 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 6' ' ' LEU . 64.3 t -58.51 -37.34 63.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 122.048 0.928 . . . . 0.0 108.776 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.52 -52.46 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.412 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 44.0 mt-10 -56.45 -59.84 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.146 0.498 . . . . 0.0 110.797 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.51 -40.2 50.72 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.132 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -52.97 -55.46 23.3 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.815 0.446 . . . . 0.0 110.73 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.4 t -53.81 -47.82 70.47 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.886 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.69 ' HD2' ' ND2' ' B' ' 17' ' ' ASN . 1.2 tmtp? -71.03 -39.85 72.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.133 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.703 ' ND2' ' HD2' ' B' ' 16' ' ' LYS . 21.9 t-20 -52.4 -49.76 63.83 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.707 177.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.54 -35.29 68.01 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.95 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -65.54 -53.15 46.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD23 ' HD3' ' A' ' 16' ' ' LYS . 1.9 mm? -68.25 -28.45 67.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.541 -176.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.82 -38.46 90.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 13.3 m120 -73.76 -42.47 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.419 178.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.9 -42.89 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.141 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 20' ' ' LEU . 54.3 t -57.27 -50.78 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.421 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.06 76.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.203 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 64.6 mtp180 -64.85 -53.25 49.72 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.104 0.478 . . . . 0.0 110.469 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 82.7 mt -61.76 -25.78 67.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.42 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -68.42 -48.15 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.615 0.245 . . . . 0.0 110.656 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.26 -37.58 86.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.544 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 84.7 mt -65.53 -56.66 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.28 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 27' ' ' LEU . 5.7 p -82.76 16.3 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.428 0.632 . . . . 0.0 111.013 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.26 52.49 4.06 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.072 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.44 -0.79 . . . . 0.0 109.153 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -80.55 67.83 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.212 0.529 . . . . 0.0 111.049 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.7 mtp -72.44 -44.12 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.486 ' HA ' ' HB3' ' B' ' 7' ' ' GLU . 8.0 mtpm? -63.35 -29.09 70.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.136 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -60.26 -47.93 83.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.171 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.521 ' O ' HG23 ' B' ' 10' ' ' VAL . 96.4 mt -71.18 -30.19 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.045 178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.486 ' HB3' ' HA ' ' B' ' 4' ' ' LYS . 34.6 tt0 -59.58 -42.07 91.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.701 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 11.1 m-20 -60.73 -45.89 92.53 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.321 176.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -54.01 -49.93 67.75 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.259 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 6' ' ' LEU . 66.2 t -58.91 -37.0 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 122.003 0.906 . . . . 0.0 108.707 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -71.57 -52.54 17.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.422 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 43.9 mt-10 -56.39 -59.63 4.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.206 0.527 . . . . 0.0 111.019 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -50.62 -40.37 52.79 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.083 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' B' ' 10' ' ' VAL . 0.1 OUTLIER -52.77 -55.3 23.86 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 123.426 0.454 . . . . 0.0 110.733 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.6 t -54.32 -47.28 72.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.703 ' HD2' ' ND2' ' A' ' 17' ' ' ASN . 1.2 tmtp? -71.32 -39.84 71.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.976 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.69 ' ND2' ' HD2' ' A' ' 16' ' ' LYS . 21.4 t-20 -52.26 -50.17 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.62 0.768 . . . . 0.0 110.744 177.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.1 -35.53 69.21 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.016 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -65.22 -53.15 48.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.527 HD23 ' HD3' ' B' ' 16' ' ' LYS . 1.9 mm? -68.26 -28.79 67.52 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.628 -176.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.7 -37.99 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 110.464 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' B' ' 26' ' ' ARG . 13.4 m120 -74.2 -42.67 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.81 -42.66 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 20' ' ' LEU . 54.0 t -57.25 -51.07 74.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.924 0.392 . . . . 0.0 110.445 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.18 75.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.145 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' B' ' 22' ' ' ASN . 64.7 mtp180 -64.87 -53.24 49.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.06 0.457 . . . . 0.0 110.39 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 83.3 mt -61.9 -25.62 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.417 -178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.58 -48.12 65.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.665 0.269 . . . . 0.0 110.627 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -62.37 -37.18 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 85.4 mt -65.9 -56.53 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.142 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.47 HG12 ' O ' ' B' ' 27' ' ' LEU . 5.6 p -82.9 16.45 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.318 0.58 . . . . 0.0 111.087 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 52.4 4.09 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.031 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.247 0.974 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.858 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m -69.53 162.06 28.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.55 0.175 . . . . 0.0 111.263 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -56.62 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -61.73 -40.3 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.001 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.63 -46.01 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.88 -30.82 67.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' HA ' HG12 ' A' ' 10' ' ' VAL . 30.9 tt0 -66.29 -32.14 73.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.962 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -67.28 -49.74 63.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -65.65 -46.38 79.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.725 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 7' ' ' GLU . 11.1 p -58.07 -31.51 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.908 0.861 . . . . 0.0 108.693 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -79.36 -52.01 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.551 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.42 -52.62 64.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 111.257 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD13 ' HB2' ' B' ' 14' ' ' LEU . 88.0 mt -53.04 -46.14 68.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.559 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HB2' HD13 ' B' ' 13' ' ' LEU . 67.1 tp -64.26 -40.82 96.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.447 0.165 . . . . 0.0 110.838 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -57.92 -46.03 85.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.4 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HE2' HD21 ' B' ' 17' ' ' ASN . 25.6 ttpt -72.58 -40.57 66.5 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.114 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD21 ' HE2' ' B' ' 16' ' ' LYS . 52.5 t-20 -52.54 -45.99 66.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.075 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -54.85 -38.18 67.13 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.254 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -63.33 -58.71 6.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.1 mm? -62.01 -38.71 89.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.805 -174.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.29 -43.63 83.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -79.1 -29.28 43.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.462 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.78 -35.11 69.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.866 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.4 t -57.18 -51.38 69.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 173.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -54.86 -43.32 72.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.869 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' HD13 ' A' ' 30' ' ' LEU . 79.8 ttt180 -60.29 -52.57 64.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.92 0.391 . . . . 0.0 110.507 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.4 mt -64.54 -23.15 67.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.678 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 70.7 mmtt -65.15 -51.36 61.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 25' ' ' ALA . 3.8 mptp? -63.89 -26.12 68.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 26' ' ' ARG . 2.0 mp -73.89 -52.37 13.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.872 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' LEU . 47.8 t -65.38 -30.63 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 111.602 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.46 6.6 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.14 -175.439 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -69.28 162.08 27.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.498 0.149 . . . . 0.0 111.307 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 67.7 mtt -56.49 -57.55 11.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -61.26 -40.02 92.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.13 -45.83 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.721 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.91 -30.92 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.493 ' HA ' HG12 ' B' ' 10' ' ' VAL . 31.5 tt0 -66.27 -32.13 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.922 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.32 -49.67 63.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.043 0.449 . . . . 0.0 110.321 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -65.6 -46.44 79.33 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.844 -177.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' B' ' 7' ' ' GLU . 11.2 p -58.0 -31.68 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 122.053 0.93 . . . . 0.0 108.73 -177.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -79.12 -52.02 8.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.128 -1.396 . . . . 0.0 111.73 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.19 -53.09 62.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.193 -177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 14' ' ' LEU . 87.7 mt -52.5 -46.39 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.619 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.418 ' HB2' HD13 ' A' ' 13' ' ' LEU . 67.4 tp -64.33 -40.56 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.85 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -58.11 -46.15 86.06 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.816 0.341 . . . . 0.0 110.407 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.438 ' HE2' HD21 ' A' ' 17' ' ' ASN . 25.5 ttpt -72.34 -40.49 67.35 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.461 HD21 ' HE2' ' A' ' 16' ' ' LYS . 52.3 t-20 -52.62 -46.19 66.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.052 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.6 -38.09 66.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.309 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.54 -58.49 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.986 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 24' ' ' VAL . 3.1 mm? -62.32 -38.48 89.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -174.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.62 -43.42 84.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.418 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -79.32 -28.88 42.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.4 -34.51 67.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.759 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 20' ' ' LEU . 62.2 t -57.54 -51.52 68.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -54.61 -43.22 72.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.838 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.435 ' O ' HD13 ' B' ' 30' ' ' LEU . 79.9 ttt180 -60.52 -52.45 65.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.916 0.389 . . . . 0.0 110.497 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 78.6 mt -64.47 -23.46 67.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.593 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 70.7 mmtt -64.91 -51.61 60.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' B' ' 25' ' ' ALA . 3.8 mptp? -63.56 -26.43 68.69 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 26' ' ' ARG . 2.1 mp -73.78 -52.15 14.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.821 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 27' ' ' LEU . 47.5 t -65.4 -30.84 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.716 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.68 35.85 6.7 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.101 -175.125 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.959 -0.457 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -86.71 3.03 46.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.636 0.255 . . . . 0.0 110.838 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.0 -34.95 74.02 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -60.14 -34.39 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.044 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 14.3 mm100 -68.53 -43.51 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 109.801 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.17 -33.61 65.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.315 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.591 ' O ' HG12 ' A' ' 10' ' ' VAL . 27.4 tt0 -69.66 -38.32 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.876 -178.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -45.17 87.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.097 0.475 . . . . 0.0 110.323 175.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 23.4 mtmt -69.13 -43.91 73.42 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 7' ' ' GLU . 4.3 p -60.48 -29.45 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 41.1 mt-10 -78.43 -52.2 8.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.734 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.54 -59.86 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.25 -44.32 71.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.142 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.5 -41.68 98.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.431 0.158 . . . . 0.0 111.297 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -59.89 -44.9 93.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 85.7 tttt -66.86 -41.27 87.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.211 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -53.91 -51.38 63.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.699 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.74 -45.18 86.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.017 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -62.04 -44.66 96.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.9 mt -62.17 -44.15 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.811 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.8 -38.87 86.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 110.333 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.04 -36.66 80.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.975 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -72.16 -35.31 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.814 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 20' ' ' LEU . 92.6 t -56.55 -56.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 109.891 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -41.73 82.71 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.495 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 75.6 ttt180 -53.91 -56.26 19.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.049 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.3 mt -65.33 -28.35 69.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.066 -177.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.6 -49.68 61.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.635 0.255 . . . . 0.0 110.625 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -72.96 -1.04 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.015 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 84.2 mt -95.18 -57.17 2.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.645 0.26 . . . . 0.0 110.749 171.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' B' ' 31' ' ' VAL . 9.5 p -69.21 -30.94 47.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.41 19.62 42.02 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.925 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.983 -178.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -86.64 2.31 48.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.47 -35.05 73.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -33.96 72.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.184 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 14.2 mm100 -68.7 -43.69 75.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 109.795 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.13 -33.72 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.266 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.599 ' O ' HG12 ' B' ' 10' ' ' VAL . 28.0 tt0 -69.41 -38.39 77.9 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.944 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -45.1 88.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.18 0.514 . . . . 0.0 110.467 175.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 23.3 mtmt -69.18 -43.68 73.71 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.736 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.599 HG12 ' O ' ' B' ' 7' ' ' GLU . 4.3 p -60.71 -29.3 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -176.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 7' ' ' GLU . 41.5 mt-10 -78.43 -52.46 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.733 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -53.44 -59.92 3.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.28 0.562 . . . . 0.0 111.142 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -54.31 -44.06 71.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.161 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.55 -42.23 98.38 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 121.904 0.081 . . . . 0.0 110.994 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.9 t -59.29 -45.17 91.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 85.7 tttt -66.76 -41.16 88.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -53.97 -51.33 64.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.675 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.66 -45.42 85.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.988 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -62.03 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 24' ' ' VAL . 95.9 mt -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.752 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.54 -39.31 87.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.64 -36.85 81.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -71.92 -35.39 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.802 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 20' ' ' LEU . 92.8 t -56.63 -55.91 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 109.892 175.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.77 82.92 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.461 177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 75.9 ttt180 -53.8 -56.47 17.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.246 0.546 . . . . 0.0 110.977 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 76.8 mt -65.07 -28.34 69.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.087 -177.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -67.69 -49.65 61.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.72 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -72.84 -1.08 15.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.171 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 83.8 mt -95.2 -57.23 2.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.755 171.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 31' ' ' VAL . 9.7 p -69.08 -30.7 47.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -177.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.26 18.89 44.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.797 -175.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.216 -178.562 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t 62.09 97.65 0.03 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.408 0.623 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtt -63.11 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -67.7 -49.3 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.563 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.73 -44.75 86.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.7 mt -70.71 -30.82 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -178.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.5 -48.26 73.18 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.979 0.419 . . . . 0.0 110.103 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.72 -32.91 74.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.422 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -60.42 -54.4 46.03 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.976 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 6' ' ' LEU . 72.4 t -57.48 -37.7 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.742 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.4 -51.14 68.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.025 -1.443 . . . . 0.0 111.294 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -60.12 -66.92 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.025 0.441 . . . . 0.0 111.135 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -49.15 -38.3 24.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.23 -43.39 95.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.4 -0.188 . . . . 0.0 111.248 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.2 p -66.78 -31.97 72.95 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.767 177.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -65.73 -49.82 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.084 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.542 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -54.59 -45.16 73.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.225 179.182 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.25 -48.88 76.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.45 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 67.4 m170 -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.995 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 24' ' ' VAL . 70.0 mt -60.58 -39.65 88.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.196 -176.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.0 mm-40 -59.34 -41.53 89.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -73.75 -33.15 64.17 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.605 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 17.1 mm-40 -61.93 -47.56 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.318 176.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 20' ' ' LEU . 87.5 t -57.36 -52.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.102 177.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.97 83.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.008 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.69 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 89.7 mt -64.5 -26.15 68.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.889 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -62.81 -46.7 86.74 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.39 -41.57 85.14 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.529 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.9 -50.46 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.701 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 27' ' ' LEU . 39.8 t -64.32 -25.41 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.26 -10.7 85.38 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.622 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.888 178.262 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t 62.3 97.54 0.03 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.303 0.573 . . . . 0.0 111.238 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -67.66 -49.17 64.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -58.04 -44.51 87.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.017 0.437 . . . . 0.0 110.615 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 10' ' ' VAL . 96.8 mt -70.84 -30.69 67.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.841 -178.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.37 -48.39 73.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.166 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.81 -32.68 74.49 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -60.57 -54.48 44.86 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.935 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 6' ' ' LEU . 72.6 t -57.35 -37.59 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-O 121.881 0.848 . . . . 0.0 108.77 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.68 -51.23 68.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.226 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -59.84 -66.83 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.276 -177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -49.34 -38.02 26.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.47 -43.5 94.02 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.399 -0.188 . . . . 0.0 111.261 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -66.67 -31.79 72.69 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.828 177.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -65.83 -49.74 67.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.036 174.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.545 HD22 ' C ' ' B' ' 17' ' ' ASN . 0.1 OUTLIER -54.59 -45.09 73.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.362 179.212 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -63.43 -49.04 75.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.869 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.453 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 67.4 m170 -63.02 -51.29 67.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.006 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 24' ' ' VAL . 70.2 mt -60.89 -39.43 89.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.317 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 17' ' ' ASN . 1.9 mm-40 -59.28 -42.0 90.2 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.663 0.268 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -73.63 -32.64 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.664 0.269 . . . . 0.0 110.799 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 17.1 mm-40 -61.96 -47.85 83.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.405 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.4 t -57.36 -52.64 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.091 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.17 82.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.863 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.67 -53.13 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 89.5 mt -64.73 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.803 -177.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -63.2 -46.51 86.71 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.33 -41.82 85.44 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.588 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.72 -50.53 72.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.701 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 27' ' ' LEU . 39.7 t -64.31 -25.39 37.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.985 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.4 -10.62 85.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.66 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.042 178.01 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m 60.05 29.93 19.45 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 122.735 0.414 . . . . 0.0 111.34 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mtp -65.57 -42.9 91.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.243 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' NZ ' ' HB2' ' A' ' 4' ' ' LYS . 3.9 ttmp? -65.45 -35.25 80.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.991 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 52.2 tt0 -64.82 -49.19 71.61 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.118 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.72 -29.62 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.385 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' A' ' 10' ' ' VAL . 44.1 tt0 -64.39 -41.94 96.38 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.872 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.7 -46.36 89.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.223 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 10.5 mmmm -58.78 -54.53 46.1 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.65 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 7' ' ' GLU . 13.0 p -60.55 -33.61 55.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.524 0.678 . . . . 0.0 109.537 -173.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -75.96 -48.95 19.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.121 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -56.77 -60.6 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.935 0.397 . . . . 0.0 110.997 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -53.69 -39.69 65.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.733 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.05 -45.82 83.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.586 0.231 . . . . 0.0 111.007 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 p -72.75 -27.22 61.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.129 0.49 . . . . 0.0 110.351 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -69.39 -49.31 56.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.48 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -55.46 -42.3 74.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.303 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -55.28 -37.68 67.61 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.971 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.501 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 30.9 t-80 -67.13 -55.76 12.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.561 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mm? -66.45 -40.5 89.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.603 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.59 -41.29 85.45 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.975 0.417 . . . . 0.0 110.955 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.566 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.0 m-20 -71.93 -37.59 69.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 32.0 mm-40 -64.84 -39.59 93.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.786 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 75.5 t -55.87 -50.52 68.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.064 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' O ' ' HD2' ' A' ' 29' ' ' LYS . . . -55.12 -43.43 74.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.682 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 37.9 mmt180 -61.12 -53.85 51.85 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.161 0.505 . . . . 0.0 110.162 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 84.8 mt -62.16 -23.23 66.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.482 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 31.1 mmtp -66.04 -55.92 14.19 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.855 -0.157 . . . . 0.0 111.013 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -76.21 -6.79 52.95 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.111 -176.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HG21 ' B' ' 31' ' ' VAL . 3.4 mp -82.78 -56.74 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.008 173.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' B' ' 30' ' ' LEU . 12.4 p -67.43 -31.17 51.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.91 -37.78 3.31 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.176 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.509 ' H ' HG13 ' A' ' 31' ' ' VAL . 38.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 122.928 0.491 . . . . 0.0 110.295 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m 59.76 29.98 19.55 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 122.787 0.435 . . . . 0.0 111.478 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mtp -65.49 -42.63 91.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.307 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 3.9 ttmp? -66.11 -34.48 78.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 52.2 tt0 -65.27 -48.94 71.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.874 0.369 . . . . 0.0 110.132 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -29.69 70.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.475 ' HA ' HG12 ' B' ' 10' ' ' VAL . 44.3 tt0 -64.32 -41.9 96.59 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.889 177.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.99 -45.91 91.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.176 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 10.6 mmmm -58.94 -54.42 47.31 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.738 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' B' ' 7' ' ' GLU . 12.8 p -60.57 -33.74 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 121.55 0.69 . . . . 0.0 109.599 -173.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.81 -49.0 19.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.106 177.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -56.66 -60.65 3.24 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.986 0.422 . . . . 0.0 111.038 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -53.75 -39.47 65.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.851 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 63.0 tp -65.15 -45.89 83.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.462 0.172 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 9.0 p -72.7 -27.4 62.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 110.392 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -69.18 -49.31 57.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.516 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -55.63 -41.95 74.24 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.302 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.69 -37.45 68.37 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.999 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 30.9 t-80 -67.41 -55.28 14.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.504 ' O ' HG23 ' B' ' 24' ' ' VAL . 3.3 mm? -66.82 -40.32 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.588 -173.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.8 -41.31 86.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 0.0 110.793 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.565 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 5.5 m-20 -71.81 -37.94 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.911 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 33.5 mm-40 -64.35 -39.93 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.905 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 75.2 t -55.74 -50.73 65.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.059 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.421 ' O ' ' HD2' ' B' ' 29' ' ' LYS . . . -54.85 -43.45 73.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.752 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 37.8 mmt180 -60.87 -54.3 46.77 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.094 0.473 . . . . 0.0 110.141 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 83.9 mt -62.04 -23.3 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.456 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 30.9 mmtp -65.97 -55.72 15.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.99 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.57 ' HD2' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -76.57 -6.19 50.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.052 -176.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' A' ' 31' ' ' VAL . 3.4 mp -83.19 -56.68 3.64 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 173.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 30' ' ' LEU . 12.4 p -67.53 -31.14 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -39.17 2.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.089 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.498 ' H ' HG13 ' B' ' 31' ' ' VAL . 38.4 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.893 0.477 . . . . 0.0 110.346 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -84.97 68.28 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.114 0.483 . . . . 0.0 110.516 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.0 ttt -71.95 -35.74 69.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -64.52 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 7.3 tt0 -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 109.775 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 10' ' ' VAL . 81.6 mt -67.35 -30.66 70.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.688 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.3 -47.49 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -74.2 -22.62 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 31.2 mmmt -69.22 -53.92 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 177.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.468 ' O ' HD23 ' A' ' 14' ' ' LEU . 90.0 t -58.62 -29.37 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -74.35 -53.09 10.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.334 -1.757 . . . . 0.0 110.904 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.74 -55.14 38.01 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.39 0.614 . . . . 0.0 110.568 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.4 mt -49.41 -41.58 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.723 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.3 mm? -57.19 -48.37 78.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.638 0.256 . . . . 0.0 110.933 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 t -60.04 -39.8 87.2 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.026 0.441 . . . . 0.0 110.286 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -68.62 -45.85 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.193 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.0 -50.28 69.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.124 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -58.32 -48.35 80.8 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.44 0.463 . . . . 0.0 110.581 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -59.07 -52.31 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.856 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 24' ' ' VAL . 73.6 mt -65.0 -50.75 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.762 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.44 -39.09 78.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.945 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -69.89 -45.17 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.18 -27.96 63.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.6 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 20' ' ' LEU . 53.1 t -54.88 -54.97 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 121.158 0.504 . . . . 0.0 109.859 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.1 86.86 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.425 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.611 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 43.1 ttm180 -57.87 -49.57 76.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 86.2 mt -62.87 -33.1 74.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.697 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.58 -43.59 72.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.414 0.149 . . . . 0.0 111.237 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 18.7 pttp -69.8 -17.15 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.804 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 88.1 mt -81.9 -55.84 4.35 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.978 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -65.6 -30.36 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.606 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.21 39.99 2.57 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.988 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.5 tt0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.064 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -84.68 68.62 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.531 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.11 -35.72 69.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.366 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -64.78 -31.61 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 7.4 tt0 -62.13 -41.32 98.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 109.805 174.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 10' ' ' VAL . 81.6 mt -67.42 -30.72 70.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -57.08 -47.78 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.652 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -73.94 -22.76 59.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 31.2 mmmt -69.18 -53.93 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 177.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.462 ' O ' HD23 ' B' ' 14' ' ' LEU . 86.1 t -58.45 -29.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -74.58 -53.17 9.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.443 -1.708 . . . . 0.0 110.952 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.4 -55.25 35.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.419 0.628 . . . . 0.0 110.649 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 89.3 mt -49.37 -41.72 39.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.693 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.462 HD23 ' O ' ' B' ' 10' ' ' VAL . 1.3 mm? -56.96 -48.63 77.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.577 0.227 . . . . 0.0 110.892 176.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 29.8 t -60.13 -39.5 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.093 0.473 . . . . 0.0 110.294 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -68.71 -45.78 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.171 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -54.94 -50.3 69.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.129 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -58.5 -48.4 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.417 0.448 . . . . 0.0 110.618 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.88 -52.33 66.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.623 ' O ' HG23 ' B' ' 24' ' ' VAL . 75.2 mt -64.77 -50.86 65.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.6 -39.03 79.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.034 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -69.86 -44.94 68.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.45 -27.79 63.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.569 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.623 HG23 ' O ' ' B' ' 20' ' ' LEU . 52.9 t -55.12 -55.29 17.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.142 0.496 . . . . 0.0 109.806 172.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.97 85.21 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.366 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.604 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 43.1 ttm180 -57.85 -49.94 74.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 86.9 mt -62.55 -33.27 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.818 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.29 -44.36 71.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.601 0.239 . . . . 0.0 111.177 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 18.6 pttp -69.3 -16.79 63.64 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.925 178.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 88.9 mt -82.33 -55.92 4.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.708 0.289 . . . . 0.0 110.942 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 p -65.65 -30.27 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 120.611 0.243 . . . . 0.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.04 39.98 2.58 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.834 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 45.1 tt0 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.996 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.428 ' CB ' HE21 ' A' ' 5' ' ' GLN . 51.0 m 63.07 38.81 10.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.033 0.444 . . . . 0.0 111.718 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.8 ttt -61.61 -35.58 78.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.847 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -65.84 -25.61 67.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.223 177.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.447 ' HA ' ' OD2' ' A' ' 8' ' ' ASP . 35.4 mt-30 -77.81 -23.65 49.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.701 0.286 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 10' ' ' VAL . 75.3 mt -68.12 -36.98 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 6.4 mm-40 -62.28 -40.14 95.26 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.716 176.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.447 ' OD2' ' HA ' ' A' ' 5' ' ' GLN . 70.5 m-20 -54.56 -48.87 71.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.3 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -52.81 -56.94 12.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.156 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 6' ' ' LEU . 61.8 t -55.48 -44.92 77.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.797 -173.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 60.1 mm-40 -68.38 -48.03 65.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.463 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.39 -61.96 2.0 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.146 0.498 . . . . 0.0 111.101 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.01 -40.67 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.455 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.24 -41.64 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.291 0.091 . . . . 0.0 111.061 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -61.42 -42.31 98.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.074 0.464 . . . . 0.0 110.619 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.8 tmtp? -68.85 -43.17 76.01 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.408 HD21 ' HD2' ' B' ' 16' ' ' LYS . 19.5 t-20 -51.94 -49.49 63.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.379 175.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -60.51 -44.69 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.182 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -59.14 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.244 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 24' ' ' VAL . 96.4 mt -66.1 -45.54 80.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -37.92 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.999 0.428 . . . . 0.0 110.024 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.1 -41.55 81.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.04 -38.82 92.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.89 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 20' ' ' LEU . 91.4 t -57.4 -57.5 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.195 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.8 79.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.456 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' O ' HD23 ' A' ' 30' ' ' LEU . 73.1 ttt180 -53.06 -59.4 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.902 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 76.3 mt -62.42 -27.97 69.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.031 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 86.4 mttt -65.22 -47.55 76.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.645 0.26 . . . . 0.0 110.651 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -77.55 -4.73 47.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.617 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 26' ' ' ARG . 2.7 mm? -94.03 -23.9 17.83 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.663 HG12 HG12 ' B' ' 31' ' ' VAL . 15.5 m -65.88 -13.1 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.121 0.418 . . . . 0.0 112.107 -178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 61.2 0.12 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.576 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.501 -0.762 . . . . 0.0 110.078 -177.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.425 ' HB3' HE21 ' B' ' 5' ' ' GLN . 47.4 m 63.26 38.84 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.87 -35.32 77.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.85 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.566 ' H ' ' HD2' ' B' ' 4' ' ' LYS . 0.0 OUTLIER -65.79 -25.74 67.39 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.347 177.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.455 ' HA ' ' OD2' ' B' ' 8' ' ' ASP . 35.5 mt-30 -77.78 -23.65 49.12 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.523 ' O ' HG23 ' B' ' 10' ' ' VAL . 75.0 mt -68.06 -37.0 80.78 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 6.3 mm-40 -62.16 -40.53 96.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.638 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.455 ' OD2' ' HA ' ' B' ' 5' ' ' GLN . 68.2 m-20 -54.35 -48.97 70.83 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.336 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -52.63 -56.92 11.97 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.211 174.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 6' ' ' LEU . 60.6 t -55.32 -45.4 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.639 -173.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 59.2 mm-40 -68.2 -47.78 66.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.549 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.5 -61.94 2.0 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.172 0.51 . . . . 0.0 111.225 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -52.97 -40.73 63.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.436 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.19 -41.7 89.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.392 0.139 . . . . 0.0 111.052 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.1 m -61.35 -42.46 98.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.608 176.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.7 tmtp? -68.56 -43.19 77.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.37 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -51.98 -49.64 62.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.274 175.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -60.41 -44.96 95.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.007 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -58.97 -39.96 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 24' ' ' VAL . 96.2 mt -66.19 -45.56 80.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -37.72 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.919 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.18 -41.62 81.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.98 -38.84 92.57 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.972 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 20' ' ' LEU . 91.8 t -57.44 -57.58 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.161 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -43.66 79.37 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.498 ' O ' HD23 ' B' ' 30' ' ' LEU . 73.0 ttt180 -53.23 -59.45 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.954 177.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 75.2 mt -62.4 -28.03 69.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.006 -176.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 24' ' ' VAL . 87.4 mttt -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.592 0.234 . . . . 0.0 110.641 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -77.5 -5.03 48.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.588 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 26' ' ' ARG . 2.7 mm? -93.59 -24.37 17.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.663 HG12 HG12 ' A' ' 31' ' ' VAL . 14.3 m -66.1 -12.41 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.03 61.5 0.12 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.616 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.843 -177.835 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.919 -0.472 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.539 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 17.5 m -120.15 145.13 47.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.9 tpt -50.63 -57.04 9.17 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -171.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -68.35 -36.99 80.04 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 44.3 mt-30 -65.62 -27.69 68.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.099 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 2' ' ' SER . 96.8 mt -74.35 -49.47 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.825 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.75 -36.95 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.268 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -69.23 -34.17 74.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.92 0.391 . . . . 0.0 110.257 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -59.97 -50.81 72.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.588 175.008 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 6' ' ' LEU . 85.4 t -54.3 -39.23 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.933 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.39 -50.42 63.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.952 -1.476 . . . . 0.0 111.258 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.1 -57.4 10.74 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.293 0.568 . . . . 0.0 110.573 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.0 mt -43.31 -45.29 5.9 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 114.944 -1.026 . . . . 0.0 113.143 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.2 mm? -55.09 -50.37 69.34 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.64 0.257 . . . . 0.0 111.162 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -60.48 -41.13 93.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.42 -50.14 64.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.559 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.755 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -33.15 70.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.32 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.474 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 16.4 t-80 -59.87 -47.03 87.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.613 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.3 mm? -71.12 -34.75 71.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.99 -37.97 75.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 109.883 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -47.76 71.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.777 177.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 33.8 mm-40 -60.76 -47.78 84.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.822 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 20' ' ' LEU . 65.1 t -54.34 -52.55 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.82 83.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.035 -178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 34.3 ttm180 -62.93 -53.05 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.298 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 95.5 mt -60.31 -28.05 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.587 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -69.69 -47.55 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.933 0.397 . . . . 0.0 109.978 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -61.7 -36.75 81.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 174.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.5 mt -67.69 -54.78 16.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.665 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.97 -18.22 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 120.708 0.289 . . . . 0.0 111.593 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.56 -5.96 89.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.417 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.704 -0.665 . . . . 0.0 110.252 178.252 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 17.0 m -120.18 145.28 47.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -50.54 -57.18 8.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -171.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -68.25 -36.8 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' B' ' 9' ' ' LYS . 43.7 mt-30 -65.84 -27.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.048 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.538 ' O ' HG23 ' B' ' 10' ' ' VAL . 96.5 mt -74.33 -49.54 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.753 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.87 -36.81 84.47 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.205 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.28 -33.97 74.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.433 . . . . 0.0 110.354 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -60.14 -50.84 72.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.557 175.036 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 6' ' ' LEU . 85.6 t -54.27 -39.29 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.904 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.37 -50.32 63.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.054 -1.43 . . . . 0.0 111.348 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.22 -57.25 11.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.348 0.595 . . . . 0.0 110.495 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.1 mt -43.39 -45.28 6.09 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 114.862 -1.063 . . . . 0.0 113.086 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.516 HD23 ' O ' ' B' ' 10' ' ' VAL . 2.2 mm? -55.05 -50.5 68.95 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 117.752 0.251 . . . . 0.0 111.264 177.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -60.64 -40.75 93.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.541 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -49.5 65.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.517 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -57.33 -51.7 68.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.71 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -33.08 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.36 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.477 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 16.2 t-80 -59.98 -47.07 87.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.565 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.4 mm? -70.74 -34.86 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -176.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -57.76 -38.67 75.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 109.982 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -47.82 72.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 36.6 mm-40 -60.66 -47.93 84.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.882 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 20' ' ' LEU . 66.7 t -54.28 -52.68 36.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 -43.48 83.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.005 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 34.3 ttm180 -63.24 -52.9 60.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.031 0.443 . . . . 0.0 110.352 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.5 mt -60.44 -27.98 67.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.598 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -69.7 -47.5 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -61.92 -36.14 80.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.771 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 91.5 mt -68.4 -54.33 17.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.591 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.17 -18.33 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 120.729 0.3 . . . . 0.0 111.64 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.45 -6.1 89.47 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.16 178.259 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -83.25 177.06 8.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.709 0.29 . . . . 0.0 111.244 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.02 -41.76 99.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -59.36 -41.89 90.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.961 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.5 -42.63 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.294 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.94 -32.22 67.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 10' ' ' VAL . 36.6 tt0 -66.73 -42.34 86.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 0.0 110.522 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.73 -32.05 71.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.545 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.49 -45.82 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.615 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 7' ' ' GLU . 9.9 p -58.68 -25.9 29.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.44 -55.11 5.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.244 175.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.65 -61.12 2.52 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.161 0.505 . . . . 0.0 111.111 -178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.75 -51.42 39.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.796 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.97 -41.36 91.79 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 p -66.4 -28.0 68.28 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.414 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 84.6 tttt -76.55 -40.24 50.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.205 175.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.574 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 18.5 m120 -52.65 -51.31 60.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -50.9 -49.64 58.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.203 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 22.9 t-80 -61.19 -44.79 96.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.819 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 24' ' ' VAL . 33.6 mt -65.13 -43.99 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -178.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 39.0 mt-10 -58.56 -38.32 77.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.847 0.356 . . . . 0.0 110.542 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -47.64 77.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.854 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 59.0 mm-40 -58.13 -46.81 84.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 20' ' ' LEU . 93.9 t -54.62 -50.78 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.567 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.19 -48.06 83.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.436 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -61.58 -50.47 72.51 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 95.8 mt -61.62 -29.67 70.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.433 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -67.32 -46.61 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -57.47 -42.91 83.52 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.71 -49.87 73.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.493 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 27' ' ' LEU . 57.9 t -65.3 -28.55 44.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.601 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.19 -44.93 96.07 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.707 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.097 179.558 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -83.27 177.17 8.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.706 0.288 . . . . 0.0 111.276 -178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 53.0 ttm -63.27 -41.71 99.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.957 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.48 -42.59 87.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.386 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.92 -32.27 67.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.778 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.493 ' O ' HG12 ' B' ' 10' ' ' VAL . 36.3 tt0 -66.37 -42.69 87.63 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.64 -31.97 71.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 110.517 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -79.56 -45.67 18.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.619 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 7' ' ' GLU . 9.9 p -58.82 -25.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -79.46 -55.33 5.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.199 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.53 -61.05 2.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.057 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 97.0 mt -49.79 -51.52 38.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.857 177.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.94 -41.47 91.91 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p -66.37 -27.76 68.12 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.502 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 84.5 tttt -76.67 -40.19 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.289 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.576 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 18.6 m120 -52.64 -51.37 60.41 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -50.87 -49.53 58.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.271 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 23.2 t-80 -61.12 -44.8 96.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 24' ' ' VAL . 34.6 mt -65.22 -44.04 89.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 -178.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 39.1 mt-10 -58.58 -38.42 77.86 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.821 0.343 . . . . 0.0 110.368 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.77 -47.53 77.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 58.5 mm-40 -58.25 -46.66 85.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.255 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 20' ' ' LEU . 93.4 t -54.73 -50.93 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.597 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.01 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.443 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -61.51 -50.89 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 0.0 110.425 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 95.5 mt -61.1 -29.7 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.432 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.4 -46.44 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.034 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -57.71 -42.85 84.58 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.72 -49.84 73.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.45 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' LEU . 57.6 t -65.44 -28.47 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.71 -45.66 94.48 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.864 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.001 179.717 . . . . . . . . 0 0 . 1 stop_ save_